data_1xpn_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 1xpn _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 ' 27' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 2.1 tt . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 119.798 -0.144 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HB3' ' HA ' ' A' ' 75' ' ' TYR . 95.0 Cg_endo -84.69 149.27 11.22 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.908 1.739 . . . . 0.0 112.576 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.54 -37.13 32.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 110.358 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -88.13 155.16 52.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.809 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.13 131.12 43.97 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.769 2.313 . . . . 0.0 112.303 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.11 18.22 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.418 0.627 . . . . 0.0 110.43 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -49.79 -22.66 1.5 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.604 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -9.79 21.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CE1' ' HG2' ' A' ' 104' ' ' ARG . 45.5 m-85 -61.65 -41.59 97.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 0.0 110.53 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.05 21.88 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.49 -32.59 7.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.546 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -80.68 84.87 6.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.977 0.894 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -139.94 118.69 12.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.0 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 125' ' ' PRO . 23.5 tt0 178.42 110.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.02 109.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.381 0.61 . . . . 0.0 109.998 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -111.92 179.52 19.62 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.565 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.68 28.1 3.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.741 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.97 96.31 0.77 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.677 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.04 112.41 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.9 mt -104.06 126.26 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -115.86 99.65 7.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.37 131.28 10.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.97 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -107.51 120.38 42.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.77 123.57 43.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 14.5 p90 -174.74 123.02 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 121.017 0.437 . . . . 0.0 110.886 176.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 169' ' ' THR . 70.6 mt -98.91 126.45 44.59 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 127.63 34.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.454 -178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.8 t -70.14 161.24 30.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.4 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.347 0.594 . . . . 0.0 110.602 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -10.83 59.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.196 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.64 73.79 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.6 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 131.65 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.401 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.79 109.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 111.605 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.33 108.76 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 25.9 mttt -71.63 -71.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.83 85.8 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.289 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.431 HG23 ' HA ' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -89.7 129.85 36.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -177.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 58.78 33.69 23.23 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.691 0.758 . . . . 0.0 109.996 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 m -105.57 134.83 48.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.642 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -89.97 113.26 24.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.042 0.449 . . . . 0.0 111.647 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -89.87 109.89 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.769 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB3' HG11 ' A' ' 108' ' ' VAL . . . -98.22 118.7 35.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.064 0.459 . . . . 0.0 110.998 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -100.36 100.5 11.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.0 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' HG21 ' A' ' 108' ' ' VAL . 12.9 pt-20 -122.23 150.02 55.98 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.982 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 19.8 Cg_exo -66.18 143.22 70.37 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.94 2.427 . . . . 0.0 113.134 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.92 97.6 10.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.866 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -102.19 170.63 7.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.059 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -60.29 -26.32 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.876 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.653 ' HA ' ' HB3' ' A' ' 28' ' ' PRO . 56.6 t80 -60.93 -35.28 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.374 176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.579 ' HE1' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.648 -175.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.94 -39.75 90.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.05 -38.24 19.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.985 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CD2' ' HE1' ' A' ' 76' ' ' MET . 78.6 t80 -66.9 -47.23 72.42 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.5 -176.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.79 -35.85 81.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.612 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.15 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.244 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -74.22 -58.34 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.813 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -108.28 -84.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.22 -113.16 4.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.416 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 151' ' ' THR . 94.0 m-20 -87.03 96.18 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.0 0.429 . . . . 0.0 110.189 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 91' ' ' ARG . 2.9 tt -123.16 120.02 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.269 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.7 147.81 52.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.243 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -63.89 -18.26 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.32 -13.44 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -133.12 31.48 3.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.224 0.535 . . . . 0.0 110.142 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 8.9 tpt180 -76.0 87.11 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.775 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -81.38 124.37 80.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -95.92 11.54 1.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.329 2.686 . . . . 0.0 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.87 -39.45 5.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.781 0.324 . . . . 0.0 110.953 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.25 111.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.469 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -82.94 128.7 64.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.933 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.25 152.36 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.887 2.391 . . . . 0.0 111.652 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.7 173.74 12.14 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 111.547 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.43 115.24 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.285 0.564 . . . . 0.0 110.305 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.562 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . 74.2 mt -82.21 149.84 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.773 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.0 t70 -62.53 125.82 86.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 12.8 Cg_exo -70.19 -17.75 35.4 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.051 2.501 . . . . 0.0 112.972 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -70.94 -26.54 63.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 109.867 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 108' ' ' VAL . 54.3 mtp85 -57.18 -37.73 72.56 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 174.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.09 -22.94 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -84.3 -39.21 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.922 0.392 . . . . 0.0 110.426 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -81.63 -21.42 38.26 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 104' ' ' ARG . 57.5 t -68.53 103.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.405 0.622 . . . . 0.0 110.751 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 109' ' ' ARG . 12.3 mtm180 -91.94 121.01 33.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.972 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -101.9 125.03 48.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.934 0.397 . . . . 0.0 111.418 -172.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.27 99.05 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.432 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 m -82.13 112.07 18.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.212 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 p -75.39 112.47 11.74 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.391 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.96 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.217 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.431 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.3 tt0 -135.95 -36.09 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.737 -176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.91 -18.83 64.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.513 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.32 33.06 81.21 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.25 144.31 42.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -136.46 155.61 49.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.509 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.5 152.81 48.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.025 0.441 . . . . 0.0 110.654 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.429 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 72.6 m-85 -133.09 166.45 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.465 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.19 150.03 26.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.507 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 19.0 m80 61.32 64.9 1.02 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.642 0.589 . . . . 0.0 111.987 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.08 134.23 26.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.016 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' GLN . 28.4 Cg_endo -65.24 160.98 39.55 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.774 2.316 . . . . 0.0 112.7 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -81.76 159.28 23.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.319 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.28 -159.3 27.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.883 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -113.46 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 96.5 m-85 -128.24 162.32 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.558 -175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.72 124.69 52.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.456 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 153' ' ' THR . 58.4 mt -95.72 107.83 20.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.436 ' OG ' ' HB1' ' A' ' 68' ' ' ALA . 15.4 p -98.77 126.72 44.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 p -149.99 120.8 7.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.22 91.34 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.17 116.6 28.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.123 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.3 t -139.76 149.86 44.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.216 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -140.83 133.47 28.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.947 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 t -112.2 104.11 12.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.212 0.529 . . . . 0.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.89 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 14.6 mt-30 -96.14 131.59 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 142' ' ' ASP . 9.1 t -120.46 117.77 28.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 141' ' ' SER . 18.7 t70 72.97 -46.74 0.66 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.859 0.724 . . . . 0.0 110.915 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -179.2 -29.19 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.213 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -93.11 142.43 27.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 110.416 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 2.4 m -83.78 106.92 15.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.167 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.7 pt -95.35 160.01 2.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -123.59 102.51 7.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.35 159.49 14.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.834 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.56 33.43 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.711 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.75 -138.27 7.25 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 40.6 p -89.4 102.08 14.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 117.228 0.514 . . . . 0.0 110.233 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 p -101.39 116.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 121.848 0.833 . . . . 0.0 110.27 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 3.2 m -117.46 122.5 43.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.464 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.684 ' HD2' ' HG ' ' A' ' 168' ' ' LEU . 46.4 tttm -109.07 130.4 55.48 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.818 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.28 106.07 12.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.23 117.66 52.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.854 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.9 t -93.21 127.24 38.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.346 0.593 . . . . 0.0 109.792 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.19 107.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.326 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 34.6 p -122.85 3.52 9.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.165 0.507 . . . . 0.0 110.306 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -99.92 115.91 5.44 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.457 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 23.9 m -82.94 -17.53 43.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.435 0.636 . . . . 0.0 109.906 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.407 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 95.8 mt-30 -95.68 162.71 23.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 92.5 Cg_exo -43.3 105.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.09 2.527 . . . . 0.0 112.772 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -95.03 103.65 15.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.4 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -78.92 117.65 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.534 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.48 137.84 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.389 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.455 HD13 ' OH ' ' A' ' 51' ' ' TYR . 34.8 mt -111.11 126.33 54.71 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.684 ' HG ' ' HD2' ' A' ' 154' ' ' LYS . 6.0 tt -106.18 98.84 8.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 176.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.504 ' HA ' HD23 ' A' ' 52' ' ' LEU . 1.6 t -136.27 3.47 2.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.121 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.48 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 18.0 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.835 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--O 1.233 0.198 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.77 160.67 45.48 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.446 2.098 . . . . 0.0 111.995 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.23 94.61 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.111 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -141.99 129.09 11.36 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.914 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.79 119.29 5.82 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . 1.8 mp0 -72.65 89.24 1.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.265 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -95.45 -30.44 13.87 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.988 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HB2' HG22 ' A' ' 73' ' ' THR . 3.2 mp0 -61.2 -32.8 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.51 0.195 . . . . 0.0 111.306 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.535 ' HD2' ' HB3' ' A' ' 32' ' ' GLU . 94.0 m-85 -69.06 -13.95 62.74 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.22 -2.57 22.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.135 0.493 . . . . 0.0 110.227 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.26 4.21 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.852 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -73.98 98.47 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 98.8 mt-30 -137.84 -165.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.322 -176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 49.6 mt-30 79.31 113.41 0.07 Allowed 'General case' 0 CA--C 1.517 -0.321 0 O-C-N 124.101 0.876 . . . . 0.0 110.678 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.39 104.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.913 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -64.03 127.96 36.35 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.789 -0.642 . . . . 0.0 113.558 -170.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.12 -2.34 16.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.723 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.64 153.26 42.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.867 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 45.8 t -124.23 125.69 70.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.351 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.544 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 67.1 mt -101.42 125.54 55.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 163' ' ' PRO . 14.3 m120 -102.77 103.47 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.593 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.19 129.11 8.87 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.842 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -117.28 119.69 35.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 51.6 tp -96.71 126.2 41.7 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 2.0 p90 -170.85 109.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.914 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' HD22 ' A' ' 135' ' ' LEU . 77.3 mt -98.5 134.84 40.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.752 0.311 . . . . 0.0 110.345 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 p -85.62 130.34 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.105 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -86.18 177.57 7.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.248 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.61 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 111.712 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 p -87.25 -5.1 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.856 0.36 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.73 66.76 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.416 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 157.74 27.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 61.4 mt -112.56 112.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.053 0.454 . . . . 0.0 110.922 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.3 104.55 16.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 36.8 mmtt -59.67 -65.15 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.837 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.19 93.1 2.25 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.423 -0.894 . . . . 0.0 111.362 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 115' ' ' GLN . 10.2 m -100.5 128.97 46.4 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 65.38 30.56 10.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.275 0.56 . . . . 0.0 110.798 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -89.12 143.51 26.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.637 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -97.63 119.15 35.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.317 0.579 . . . . 0.0 111.073 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.53 124.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.093 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.92 118.08 35.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.866 0.365 . . . . 0.0 110.528 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.08 109.53 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.113 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.634 ' HG3' ' HB2' ' A' ' 130' ' ' TYR . 8.3 pt-20 -119.42 145.9 39.82 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.635 -178.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.14 124.18 12.63 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.518 2.145 . . . . 0.0 111.849 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' ' 128' ' ' THR . . . -66.61 113.88 5.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.181 0.515 . . . . 0.0 109.853 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -128.23 142.21 51.23 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.776 -173.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 p -63.91 -23.21 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.45 -26.59 66.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.089 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.884 ' HG3' HH21 ' A' ' 104' ' ' ARG . 91.1 mmm -97.48 2.16 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -64.08 -31.26 72.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.582 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.99 24.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -62.17 -40.52 96.29 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.988 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -55.03 -34.52 63.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.163 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.91 -21.95 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.65 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.79 -38.39 19.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.118 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.15 -94.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.944 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.59 -134.41 44.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.36 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.55 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.1 p30 -81.41 87.37 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 109.999 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 87' ' ' ASP . 10.2 tt -127.09 127.84 45.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.96 -175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.533 ' O ' HD22 ' A' ' 86' ' ' LEU . 7.0 m-20 -59.41 136.34 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.736 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.437 ' HB3' ' HA2' ' A' ' 150' ' ' GLY . . . -53.02 -34.18 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.27 -12.81 61.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.892 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -101.51 -6.47 23.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.598 0.237 . . . . 0.0 110.577 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -66.98 102.94 1.05 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.503 0.668 . . . . 0.0 110.188 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.49 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 26.1 t0 -92.56 123.09 62.92 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.799 -173.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.52 -24.31 74.44 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.17 2.58 . . . . 0.0 113.033 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.49 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 13.3 t70 -62.66 -34.32 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.224 0.535 . . . . 0.0 110.517 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.2 103.16 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 20.3 pt20 -95.89 139.83 22.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.308 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 15.9 Cg_exo -68.81 124.45 11.48 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.798 2.332 . . . . 0.0 111.631 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.03 151.44 72.23 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 112.241 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 112.56 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.649 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.508 HD11 ' HG3' ' A' ' 104' ' ' ARG . 95.1 mt -85.07 173.36 10.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 13.2 t70 -75.71 139.24 70.25 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.62 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.44 -29.35 48.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.416 2.744 . . . . 0.0 113.219 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -65.2 -17.74 64.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.564 0.221 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.884 HH21 ' HG3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -56.45 -48.49 76.94 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.108 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.77 64.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.66 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.4 m -85.33 -33.74 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -94.84 -22.76 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.695 HG21 ' O ' ' A' ' 104' ' ' ARG . 59.5 t -76.85 99.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.93 139.73 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.676 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -112.9 121.84 45.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.11 129.83 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.3 m -90.04 127.31 36.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.4 p -67.27 139.64 57.32 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.185 0.516 . . . . 0.0 111.467 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 12.5 t70 -67.07 173.73 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.414 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 9.8 tt0 -53.21 -35.73 60.22 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.159 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 65.3 t30 -87.97 11.65 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 72.36 18.6 78.34 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.561 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -90.87 138.52 31.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.34 . . . . 0.0 110.524 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.432 ' HE1' ' HB2' ' A' ' 50' ' ' LEU . 39.1 p90 -144.33 123.88 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.934 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -113.79 136.49 52.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.347 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.544 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 76.1 m-85 -114.87 111.86 21.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.38 168.5 10.17 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 50.5 m80 62.47 56.17 2.13 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 110.632 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 121' ' ' PHE . 50.1 mm -113.28 110.31 50.85 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.609 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -72.18 157.93 52.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.287 1.991 . . . . 0.0 110.928 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.72 130.66 41.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.153 0.501 . . . . 0.0 111.583 -177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.31 -173.52 42.47 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.138 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.484 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 3.4 m -99.42 141.84 31.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 117.229 0.514 . . . . 0.0 110.18 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.27 150.95 51.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.174 0.511 . . . . 0.0 111.99 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.634 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 28.1 m-85 -107.41 118.26 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.214 171.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.466 HD12 HG13 ' A' ' 166' ' ' VAL . 71.2 mt -95.48 107.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -114.56 121.91 44.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.9 t -145.68 141.2 27.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -104.88 102.7 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.203 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.409 HD22 ' HG ' ' A' ' 52' ' ' LEU . 50.6 tp -109.38 115.01 29.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.083 0.468 . . . . 0.0 109.828 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.9 p -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.51 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.7 p90 -139.88 152.47 46.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.535 ' OG ' HG21 ' A' ' 145' ' ' THR . 7.1 t -105.8 123.89 48.68 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.09 142.86 45.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 -173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -85.59 123.36 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.3 t -140.26 98.23 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.082 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 65.22 41.06 4.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.941 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.24 -20.48 25.86 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.459 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.63 123.76 33.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.535 HG21 ' OG ' ' A' ' 138' ' ' SER . 1.2 m -90.43 101.49 14.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.5 pt -90.55 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.2 m -123.69 121.05 34.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.389 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.51 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 49.3 mt-10 -113.79 163.39 15.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 105.58 -162.11 14.37 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.007 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 88' ' ' ALA . . . 153.86 -159.77 28.94 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.765 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 21.7 p -88.56 102.56 15.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.53 118.46 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.37 0.605 . . . . 0.0 110.06 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.7 m -103.87 118.9 37.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.46 ' HB2' HD12 ' A' ' 168' ' ' LEU . 30.5 tptt -109.37 119.98 41.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.724 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.47 121.19 27.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 81.6 t -129.69 128.57 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.0 m -107.64 114.19 28.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.57 93.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 110.508 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.8 p -107.23 28.13 8.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 110.693 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -148.98 159.13 27.92 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.616 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 19.3 m -94.66 -26.96 16.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.012 0.435 . . . . 0.0 110.474 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.33 151.01 97.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.187 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.431 ' HB3' ' OD1' ' A' ' 47' ' ' ASN . 68.2 Cg_exo -40.91 118.49 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.938 3.092 . . . . 0.0 113.728 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.02 114.85 26.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.367 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -83.74 117.42 23.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.545 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.2 t -123.05 118.64 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.31 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.75 108.45 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.098 0.475 . . . . 0.0 110.297 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.503 HD22 HD11 ' A' ' 50' ' ' LEU . 26.9 tp -88.5 82.71 6.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 9.9 t -124.84 -16.56 6.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.198 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.655 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD11 ' HG3' ' A' ' 98' ' ' PRO . 94.1 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.383 0.611 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.15 149.17 64.03 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.918 2.412 . . . . 0.0 112.088 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -83.81 77.48 9.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.468 0.651 . . . . 0.0 110.651 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -97.46 165.02 16.42 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.877 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.41 -18.89 61.09 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 112.448 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 69.21 17.86 8.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.873 0.844 . . . . 0.0 109.699 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -91.33 -7.03 52.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.7 mp0 -67.25 -19.97 65.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.153 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.77 -22.56 65.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -88.1 4.57 44.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.44 11.82 24.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.336 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -129.11 18.8 5.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.051 0.453 . . . . 0.0 110.469 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 4.0 pt20 -98.41 23.77 8.09 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.989 -174.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -91.61 -111.75 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.03 149.35 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.94 155.63 24.49 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.507 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.65 16.02 1.24 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.054 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.01 108.99 2.73 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.045 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.46 103.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.907 0.384 . . . . 0.0 110.081 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.521 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.8 mt -93.3 122.77 45.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.931 0.396 . . . . 0.0 110.321 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -104.83 99.7 9.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.18 127.81 9.37 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.508 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.49 112.35 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 168' ' ' LEU . 30.3 tp -96.04 127.02 41.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.261 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -167.01 121.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.863 171.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 169' ' ' THR . 92.5 mt -104.08 136.4 43.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.53 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p -81.39 111.01 17.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -71.79 164.92 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.397 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.48 67.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 111.423 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -81.21 -10.43 59.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.73 26.54 71.18 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.18 -16.32 38.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.559 0.219 . . . . 0.0 111.303 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt 66.99 111.4 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.572 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.554 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 12.4 mm100 -106.19 117.05 33.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.647 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -70.62 -70.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.061 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 95.62 1.46 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.554 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -92.67 113.5 25.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m120 54.67 67.38 1.02 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.462 0.649 . . . . 0.0 110.622 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 112' ' ' THR . 4.3 m -110.58 147.66 33.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.66 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 110' ' ' GLU . 42.3 tptt -78.13 120.25 22.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.064 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.53 112.32 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.065 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.7 115.66 30.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.5 HD11 HG12 ' A' ' 131' ' ' ILE . 8.1 tt -108.78 112.27 24.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.913 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB3' HG23 ' A' ' 108' ' ' VAL . 12.8 pt-20 -127.48 155.81 76.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.16 133.21 39.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.043 2.495 . . . . 0.0 113.271 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.493 ' HB2' HG21 ' A' ' 128' ' ' THR . . . -87.11 128.43 35.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.154 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 t -148.08 157.39 43.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.696 -175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -61.88 -26.4 68.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.442 0.639 . . . . 0.0 110.04 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.427 ' HD2' ' HG3' ' A' ' 76' ' ' MET . 53.9 t80 -57.23 -32.95 67.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.774 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.427 ' HG3' ' HD2' ' A' ' 75' ' ' TYR . 83.7 mtp -107.43 15.87 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.076 -175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.98 -44.51 91.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.59 81.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.685 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -68.21 -33.14 73.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.214 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.35 -33.66 55.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.81 56.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.425 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -77.98 -53.98 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.407 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.84 -85.51 0.35 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.39 -120.79 10.44 Favored Glycine 0 C--N 1.334 0.425 0 O-C-N 123.675 0.609 . . . . 0.0 112.688 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.513 HD22 ' HG2' ' A' ' 170' ' ' ARG . 32.3 t-20 -81.69 81.25 7.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HG ' ' HG3' ' A' ' 90' ' ' LYS . 6.1 tt -102.28 116.95 33.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.501 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.33 170.75 15.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.248 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' ' 91' ' ' ARG . . . -71.04 -18.8 62.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.844 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 35.2 pttt -111.17 39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 111.267 -178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 88' ' ' ALA . 15.4 mmt85 -72.66 113.22 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.667 174.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -99.53 113.69 65.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.32 -2.77 8.6 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.639 2.226 . . . . 0.0 112.882 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -102.82 -47.91 4.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.828 0.346 . . . . 0.0 110.23 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.2 87.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 109.762 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.27 151.44 75.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.69 120.92 8.63 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.517 2.144 . . . . 0.0 111.266 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.412 ' HG3' HD11 ' A' ' 27' ' ' LEU . 37.4 Cg_endo -65.59 166.06 21.03 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.791 2.327 . . . . 0.0 112.638 -176.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.78 106.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.8 -172.93 2.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.237 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 104' ' ' ARG . 3.6 t70 -52.62 133.6 45.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.154 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.79 -19.33 12.71 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.974 2.449 . . . . 0.0 112.765 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -72.82 -15.78 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.506 . . . . 0.0 110.325 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HG3' ' OD2' ' A' ' 101' ' ' ASP . 39.5 mtp-105 -56.47 -29.26 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.703 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.15 21.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 111.297 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.2 m -115.22 -37.73 4.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -94.65 -14.1 25.22 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.429 HG23 ' HB3' ' A' ' 70' ' ' GLU . 91.0 t -82.3 108.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 109.766 176.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -86.2 112.32 21.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.331 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.442 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 43.5 mt-10 -101.57 116.66 33.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -110.88 175.01 5.59 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.973 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.1 m -142.4 127.48 18.5 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.251 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.407 HG21 HD21 ' A' ' 50' ' ' LEU . 29.3 p -59.55 137.96 57.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 10.7 p-10 -54.98 -61.89 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.482 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 26.7 tt0 179.71 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.725 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -92.4 11.08 27.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.58 26.08 47.98 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.673 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -109.96 147.19 33.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.409 -0.465 . . . . 0.0 111.319 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -143.56 130.63 20.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.497 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -111.69 128.72 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.62 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.521 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 18.7 m-85 -115.77 142.69 46.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -144.1 157.85 44.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 m80 66.01 34.32 7.09 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.641 0.588 . . . . 0.0 111.751 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.95 126.77 45.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.307 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.11 159.53 38.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.149 2.566 . . . . 0.0 112.215 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.29 137.85 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.35 -144.9 11.33 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.493 HG21 ' HB2' ' A' ' 72' ' ' ALA . 6.5 t -136.29 136.37 39.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -132.85 164.64 26.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' A' ' 155' ' ' LEU . 50.0 m-85 -110.02 124.45 51.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.333 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.5 HG12 HD11 ' A' ' 69' ' ' LEU . 63.8 mt -101.08 104.66 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -110.25 125.14 52.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -137.65 132.63 33.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.373 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -96.65 107.15 19.54 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.101 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.592 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 48.9 tp -117.61 93.22 4.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.442 ' HB ' ' CG2' ' A' ' 147' ' ' THR . 45.1 p -110.12 112.97 25.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.554 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 45.4 p90 -115.63 159.16 21.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.5 p -101.62 129.69 47.79 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.895 0.378 . . . . 0.0 111.093 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.85 124.68 43.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.891 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.31 118.52 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 0.0 111.132 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.8 t -107.02 -164.56 1.0 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.66 95.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.363 . . . . 0.0 111.262 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 70.56 -1.76 19.58 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.328 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -136.67 116.47 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.513 -0.404 . . . . 0.0 110.688 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -88.48 114.24 24.9 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.06 0.457 . . . . 0.0 109.877 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.8 pt -93.79 147.94 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.442 ' CG2' ' HB ' ' A' ' 136' ' ' THR . 40.5 m -98.11 104.27 16.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.932 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.539 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 39.5 mt-10 -86.7 175.64 8.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.602 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.592 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 88.65 -98.21 2.4 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.084 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.98 -157.38 25.08 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.829 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.8 m -96.15 102.61 14.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.987 0.422 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 85' ' ' ASN . 7.3 p -95.92 125.83 48.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.206 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 61.6 m -117.35 121.81 42.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.077 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -110.29 126.42 54.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.722 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 130' ' ' TYR . 50.6 tp -85.43 109.26 18.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.044 0.45 . . . . 0.0 110.3 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.6 t -114.0 125.22 71.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.9 m -108.31 101.09 10.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.35 98.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.4 m -99.0 17.58 19.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.689 -171.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -178.93 -168.74 38.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 20.0 m -106.95 17.29 23.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.309 0.575 . . . . 0.0 110.167 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -79.39 153.33 76.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.491 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.47 103.38 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.464 2.11 . . . . 0.0 110.852 173.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.98 113.72 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -175.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.22 112.94 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.92 120.17 58.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.554 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.02 122.08 28.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 50' ' ' LEU . 35.5 tp -88.03 100.7 13.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.472 0.653 . . . . 0.0 109.923 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.406 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -165.07 174.85 9.96 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.611 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.513 ' HG2' HD22 ' A' ' 85' ' ' ASN . 89.7 mtt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.991 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -85.21 120.97 2.26 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.781 2.321 . . . . 0.0 112.466 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -79.62 -41.05 27.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.425 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 95.0 m-85 -64.15 -54.07 42.52 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 97.6 Cg_endo -78.99 13.2 2.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.8 1.667 . . . . 0.0 113.699 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.17 63.34 4.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 111.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -96.36 1.46 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.561 165.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.23 -49.03 60.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.435 -166.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -61.76 -36.44 81.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.117 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.77 64.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.296 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.97 10.05 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 111.248 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.4 m -93.6 116.12 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.23 162.87 15.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.353 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -97.35 -14.43 21.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.549 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.34 112.5 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.571 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -164.12 169.43 38.98 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.388 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.62 13.86 4.49 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.33 123.1 10.06 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.923 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.31 111.2 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.489 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 62.9 mt -101.93 116.28 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -103.01 99.09 8.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -107.54 129.05 9.47 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.528 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.5 117.99 35.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.5 tp -92.14 129.23 38.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.459 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 38.1 p90 -170.65 114.53 0.45 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.893 172.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.496 HD12 HD21 ' A' ' 135' ' ' LEU . 65.4 mt -102.18 128.18 48.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.566 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.457 HG22 HG12 ' A' ' 59' ' ' ILE . 10.9 p -82.47 100.25 9.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.532 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -65.05 162.89 15.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.704 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.59 64.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.593 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.59 -20.15 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.88 20.72 72.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.616 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.02 36.97 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.853 -0.204 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 60.1 mt 66.82 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.483 0.658 . . . . 0.0 111.735 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -93.68 123.16 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.433 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 6.1 mmtt -85.59 -18.25 33.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.675 -168.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.42 84.63 0.61 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.188 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -94.23 114.09 26.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.7 0.286 . . . . 0.0 110.658 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' A' ' 113' ' ' THR . 26.1 t-20 58.78 75.92 0.37 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.68 0.752 . . . . 0.0 109.855 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -130.42 144.59 51.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.099 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -85.24 121.74 28.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 111.52 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.06 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.19 146.63 25.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.857 0.361 . . . . 0.0 110.81 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 tt -126.74 122.42 34.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.482 ' HB3' HG21 ' A' ' 108' ' ' VAL . 8.6 pt-20 -134.97 150.95 74.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.7 Cg_exo -73.79 147.15 39.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.218 2.612 . . . . 0.0 113.237 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.79 100.25 1.87 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.589 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -112.0 136.31 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.509 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.2 t -62.72 -23.89 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.197 0.522 . . . . 0.0 110.397 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.47 -27.62 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.989 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.3 mtp -108.42 11.81 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.97 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.081 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.91 61.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.952 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -77.06 -42.0 40.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.761 ' HE2' HG23 ' A' ' 153' ' ' THR . 7.1 m-85 -77.37 -10.41 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.205 -177.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.76 76.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.539 0.685 . . . . 0.0 109.277 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -84.92 -61.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.267 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 8.96 43.26 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.441 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.95 2.65 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.876 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.98 79.76 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.816 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 8.4 tt -102.22 107.94 19.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.411 0.624 . . . . 0.0 110.815 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.22 155.02 39.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.38 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.1 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.712 0.291 . . . . 0.0 111.054 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.26 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.816 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 49.0 pttt -115.73 29.35 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.504 ' HA ' HD22 ' A' ' 86' ' ' LEU . 4.0 mmm180 -71.79 105.12 3.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.858 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.46 113.92 60.11 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.044 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.24 -3.99 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.872 2.382 . . . . 0.0 112.918 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -102.65 -48.93 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.663 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.74 114.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -92.98 143.37 26.71 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.644 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 42.3 Cg_exo -57.76 134.0 59.95 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.792 2.328 . . . . 0.0 112.014 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 19.9 Cg_exo -66.0 161.74 38.39 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.32 100.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.376 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.34 170.29 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.72 130.45 92.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.56 -19.53 52.84 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.419 2.746 . . . . 0.0 113.827 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -59.05 -28.62 66.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.639 0.257 . . . . 0.0 111.676 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.0 ptm85 -65.67 -23.66 66.84 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.023 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.17 64.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 0.0 110.487 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -94.13 -27.75 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.726 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -93.07 -36.8 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 70' ' ' GLU . 58.0 t -73.97 101.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.346 0.593 . . . . 0.0 110.188 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.431 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -90.2 124.56 34.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.597 -178.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.74 128.91 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.348 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.11 137.86 48.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -102.48 111.67 24.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.717 0.294 . . . . 0.0 110.693 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 39.4 p -71.74 151.0 43.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.238 177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.35 -148.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -51.56 -35.31 40.45 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.385 0.428 . . . . 0.0 112.073 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -65.54 -25.08 67.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.293 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 58.39 39.2 92.5 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.49 147.64 45.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 46.4 p90 -137.04 150.78 48.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 110.419 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.92 129.51 32.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.291 0.567 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.489 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 63.5 m-85 -116.5 150.0 38.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.149 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.41 174.47 14.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 71.2 m-70 59.81 42.11 17.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.554 0.692 . . . . 0.0 110.603 -174.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 121' ' ' PHE . 57.2 mt -110.19 121.64 41.06 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.951 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 18.0 Cg_endo -61.97 146.56 96.26 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.369 2.046 . . . . 0.0 111.61 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.77 116.88 4.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.823 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.73 -177.84 48.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.937 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 65.4 m -101.61 126.19 48.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 81.5 m-85 -130.4 165.98 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.987 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -114.3 135.82 53.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.896 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 153' ' ' THR . 51.9 mt -98.88 110.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -107.77 116.73 32.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.179 0.514 . . . . 0.0 110.847 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.1 t -136.96 132.65 34.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.83 92.69 5.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.651 0.738 . . . . 0.0 110.594 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 52' ' ' LEU . 55.8 tp -114.42 108.17 16.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.93 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -125.95 151.27 47.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.434 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.468 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 37.7 p90 -146.08 152.96 40.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.0 p -102.69 108.6 19.92 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.88 133.83 54.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.502 ' HG2' ' OG1' ' A' ' 145' ' ' THR . 87.1 mt-30 -81.44 104.89 12.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -95.93 113.3 24.91 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 65.04 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.83 0.706 . . . . 0.0 110.947 -176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.76 4.16 2.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.444 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -121.02 123.56 42.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.013 0.435 . . . . 0.0 110.966 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.502 ' OG1' ' HG2' ' A' ' 140' ' ' GLN . 24.9 m -76.9 108.42 9.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.131 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 pt -105.99 157.52 6.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.691 0.281 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.5 m -105.55 113.17 26.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 38.8 mt-10 -109.94 177.06 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.155 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 98.23 -136.94 12.99 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.175 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.95 -145.94 17.61 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.596 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.4 m -109.17 102.79 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.165 0.507 . . . . 0.0 109.666 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.35 130.01 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.761 HG23 ' HE2' ' A' ' 80' ' ' TYR . 8.1 m -120.28 120.15 35.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.69 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -110.39 143.15 41.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -91.1 104.25 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.186 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.47 106.38 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.317 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 5.0 t -99.09 96.32 7.71 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.828 0.823 . . . . 0.0 110.347 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.08 86.35 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.931 -177.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -91.89 19.12 6.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.637 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -164.56 148.24 14.04 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.045 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 29.5 m -84.82 59.37 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.852 0.834 . . . . 0.0 109.946 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.27 162.35 28.55 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.864 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.89 102.29 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.281 1.987 . . . . 0.0 110.469 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.97 117.43 30.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.343 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.66 111.49 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.025 0.44 . . . . 0.0 109.946 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.505 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.7 t -119.31 107.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.385 -177.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.32 111.03 12.55 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 32.0 tp -79.75 87.9 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.774 0.797 . . . . 0.0 109.809 -178.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 13.0 t -157.48 178.77 9.92 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.007 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.249 -176.512 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.05 177.08 5.53 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.608 2.205 . . . . 0.0 111.534 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.601 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 36.4 t70 -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 36.7 m-85 109.17 -30.72 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.251 1.42 . . . . 0.0 114.795 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 20.0 Cg_exo -67.73 9.22 0.36 Allowed 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 121.843 1.694 . . . . 0.0 113.435 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -82.29 3.66 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -53.22 -37.13 61.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.255 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.56 -29.17 63.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.194 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -66.01 -26.8 67.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.289 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.44 5.07 51.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.791 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.2 18.98 10.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.025 0.44 . . . . 0.0 111.199 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -96.58 91.28 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -121.7 -167.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.992 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 44.6 mt-30 82.06 113.9 0.06 Allowed 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.861 0.864 . . . . 0.0 111.918 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -87.36 103.29 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.35 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -91.27 170.66 34.45 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.406 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 24.33 13.08 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.545 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.79 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -64.93 113.31 5.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.742 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.81 98.77 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.23 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 49.4 mt -99.52 93.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.012 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.476 ' H ' HD21 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -102.79 140.96 36.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.23 157.04 27.03 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.503 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.04 119.14 34.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.624 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 27.2 tp -94.59 129.01 41.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.592 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 34.1 p90 -169.84 130.6 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 HD22 ' A' ' 135' ' ' LEU . 96.4 mt -118.47 141.23 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.007 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 p -89.8 134.47 34.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.477 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 91.1 p -88.22 -179.19 6.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.751 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -28.48 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -77.69 -30.21 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.942 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.56 30.96 3.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.853 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.23 140.18 32.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.17 108.91 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.176 0.512 . . . . 0.0 110.594 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 14.3 mm100 -89.47 106.36 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.779 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 14.8 mmtt -76.98 -12.05 59.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.094 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.93 83.9 0.37 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.277 -0.963 . . . . 0.0 111.515 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -83.56 105.16 14.26 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 113' ' ' THR . 15.0 t-20 59.11 72.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.524 0.678 . . . . 0.0 109.823 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.6 m -128.61 138.52 52.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.533 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -74.97 111.89 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.015 0.436 . . . . 0.0 111.86 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.72 116.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.484 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.38 134.23 47.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.733 0.301 . . . . 0.0 111.157 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -115.68 118.75 33.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.16 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.459 ' HB3' HG23 ' A' ' 108' ' ' VAL . 12.9 pt-20 -126.41 151.5 72.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 8.3 Cg_exo -72.61 146.96 44.72 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.373 2.715 . . . . 0.0 113.112 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.78 109.33 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -123.19 155.61 36.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.523 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 57.3 p -77.69 -9.54 59.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.289 0.566 . . . . 0.0 110.354 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 31' ' ' PRO . 61.5 t80 -67.92 -35.81 79.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.7 mtp -91.61 17.35 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.343 -173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 74' ' ' SER . 49.8 mtmt -58.2 -43.47 87.64 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.638 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -69.6 -44.22 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.95 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.8 -39.09 83.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.703 ' HE1' HG21 ' A' ' 153' ' ' THR . 52.2 t80 -74.89 -23.72 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.53 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 73.8 mmtt -68.84 -56.32 8.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -122.05 -84.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.316 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.22 -128.62 42.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.188 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' ' 151' ' ' THR . 41.0 t-20 -82.46 103.21 11.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 91' ' ' ARG . 3.5 tt -138.38 127.15 23.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -170.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.456 ' CB ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 t70 -57.7 146.7 30.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.824 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.15 -24.21 67.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.67 0.271 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.05 -22.64 60.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.306 0.575 . . . . 0.0 110.506 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 87' ' ' ASP . 41.0 mtmt -100.37 7.81 44.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.699 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -73.69 107.41 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.207 -178.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -98.73 110.08 55.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.477 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -88.39 8.38 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.718 2.279 . . . . 0.0 112.9 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -91.71 -43.88 9.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.0 118.22 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.815 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.78 126.76 56.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.345 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.56 128.37 28.06 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 111.477 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.55 138.96 86.57 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.692 2.261 . . . . 0.0 112.149 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.33 112.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.328 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 75' ' ' TYR . 56.7 mt -85.25 176.56 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.04 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 15.9 t70 -57.17 124.37 65.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.17 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 39.7 Cg_exo -58.07 -16.94 29.21 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.524 2.816 . . . . 0.0 114.314 -171.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -65.0 -20.07 66.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.0 ptm85 -63.54 -26.01 68.51 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.599 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.58 -16.32 64.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.965 0.412 . . . . 0.0 110.983 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -97.11 -34.79 11.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.77 -35.53 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.715 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 104' ' ' ARG . 86.0 t -71.17 118.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 109' ' ' ARG . 22.9 mtp180 -99.99 141.48 32.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.499 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -101.92 147.7 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.43 102.59 4.66 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.293 170.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 m -82.29 109.76 16.85 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 26.7 p -55.16 140.52 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.53 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -76.63 -171.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -74.32 -3.37 29.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.271 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.99 7.31 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.756 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.516 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 61.36 48.06 87.33 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.08 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 119' ' ' PHE . 3.6 tmt_? -136.96 144.12 43.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.464 ' N ' ' HD3' ' A' ' 118' ' ' ARG . 49.2 p90 -142.87 156.63 44.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 47' ' ' ASN . 4.9 p-10 -145.85 140.92 27.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.278 0.561 . . . . 0.0 110.753 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.493 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 95.7 m-85 -113.26 158.28 20.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.299 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.72 171.46 20.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.5 m170 62.5 45.51 6.28 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.528 . . . . 0.0 110.758 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 69.4 mt -129.13 138.25 32.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.229 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' GLN . 7.0 Cg_exo -72.57 -176.75 2.41 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.779 2.319 . . . . 0.0 112.441 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.78 155.83 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.01 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.75 -158.61 26.23 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.583 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 m -104.65 124.62 49.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.2 161.74 33.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -116.74 134.04 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 153' ' ' THR . 38.2 mt -100.39 113.69 36.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.9 m -111.2 114.43 27.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.693 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.3 m -131.41 129.24 41.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -93.62 100.33 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.277 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 52' ' ' LEU . 46.9 tp -116.53 90.63 3.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.476 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 45.2 p -115.47 138.8 50.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.024 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.496 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.4 p90 -141.53 150.48 42.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.986 0.422 . . . . 0.0 110.208 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.3 m -107.7 120.09 41.26 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 51.1 mt-30 -81.73 99.75 9.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.162 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 103.58 16.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 65.49 -77.68 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.938 0.774 . . . . 0.0 111.419 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -140.68 5.37 2.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.415 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -123.95 120.35 32.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.761 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 15.5 m -79.24 128.48 33.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.492 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 26.6 pt -119.39 141.58 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.177 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.2 m -94.38 104.23 16.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.496 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 40.4 mt-10 -101.38 165.47 11.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.547 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.31 -152.38 21.56 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.258 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 151.93 -155.35 26.09 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.199 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 10.7 m -96.94 105.31 17.43 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.07 121.1 45.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.768 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.703 HG21 ' HE1' ' A' ' 80' ' ' TYR . 13.9 m -109.74 119.79 40.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.81 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -110.67 130.03 55.67 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.99 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.7 tp -80.36 116.47 20.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 94.2 t -116.89 124.57 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.282 0.563 . . . . 0.0 111.2 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.3 t -105.59 121.83 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.954 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.28 104.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.8 t -70.21 -27.84 64.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.1 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.84 -158.35 31.13 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.338 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.79 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.5 p -73.88 -24.0 59.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.531 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.99 146.14 88.11 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.36 117.24 3.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.541 2.827 . . . . 0.0 113.639 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -103.67 110.71 22.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.6 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 63.1 tttp -96.06 116.86 29.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 0.0 110.061 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.97 116.04 48.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.654 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.32 112.84 16.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.47 HD23 HD13 ' A' ' 50' ' ' LEU . 28.3 tp -81.39 93.49 6.61 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.622 0.725 . . . . 0.0 109.991 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 12.1 t -159.19 179.0 9.4 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.545 -1.207 . . . . 0.0 107.859 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.139 -177.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 9.8 Cg_endo -51.5 144.07 33.57 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.566 . . . . 0.0 112.356 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.6 84.9 0.87 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' A' ' 28' ' ' PRO . 85.2 m-85 -133.06 91.96 26.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.434 173.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 29.5 Cg_endo -65.27 166.28 19.62 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.383 2.056 . . . . 0.0 110.805 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 66.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.433 ' CD2' ' HG2' ' A' ' 31' ' ' PRO . 37.2 m-70 -95.78 -10.37 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.818 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -96.16 -30.11 13.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.551 -163.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.643 ' HH ' ' HG2' ' A' ' 76' ' ' MET . 54.7 m-85 -91.27 -48.58 6.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.157 -0.34 . . . . 0.0 110.974 -174.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.88 57.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.54 10.42 38.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 p -75.56 158.87 31.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -100.45 154.43 18.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.62 16.83 19.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.115 0.484 . . . . 0.0 110.679 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.1 107.39 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.85 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.41 128.16 1.87 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.971 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.31 16.89 3.37 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.143 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -74.57 143.52 31.58 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.818 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.73 115.74 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.869 0.366 . . . . 0.0 110.255 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 70.5 mt -106.46 119.57 56.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 11.7 t-20 -121.59 118.96 30.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.508 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -132.5 149.57 19.51 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.983 -171.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.36 120.94 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.807 -0.697 . . . . 0.0 109.163 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 26.0 tp -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.48 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 26.2 p90 -164.51 125.2 2.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.285 0.564 . . . . 0.0 110.38 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -108.46 135.66 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.303 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.27 114.99 20.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.854 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.78 ' HG ' ' HZ2' ' A' ' 137' ' ' TRP . 1.2 m -65.0 155.8 33.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.93 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.34 68.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.25 -1.75 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.9 35.72 85.21 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 121.367 -0.444 . . . . 0.0 113.482 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -87.27 -38.99 15.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.689 -0.301 . . . . 0.0 111.146 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 85.0 mt 69.8 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.749 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -131.26 133.58 45.58 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.707 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 32.7 mmtp -66.05 -70.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.75 102.71 1.66 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.399 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.6 p -115.61 142.44 46.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t30 64.53 21.86 12.54 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.093 0.949 . . . . 0.0 109.407 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.3 m -92.84 132.88 36.61 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.311 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -83.8 114.87 21.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.183 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 87.0 t -100.95 118.53 47.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.781 174.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.16 128.37 51.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.978 0.418 . . . . 0.0 110.633 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 tp -107.48 97.37 7.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.932 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.82 136.58 19.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 39.3 Cg_endo -68.65 142.35 52.87 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.269 1.979 . . . . 0.0 111.697 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.82 101.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.089 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 p -122.86 152.69 40.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.201 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 m -72.09 -27.95 62.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.98 -34.92 71.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.984 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.643 ' HG2' ' HH ' ' A' ' 35' ' ' TYR . 91.3 mmm -84.53 -11.15 56.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.03 -36.46 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.26 61.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.021 0.438 . . . . 0.0 111.419 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -74.8 -27.27 60.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.057 0.456 . . . . 0.0 110.01 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -65.41 -30.19 70.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.43 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.75 -27.65 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 16.2 mtpp -75.32 -38.55 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.67 -79.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.858 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.94 -121.64 27.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.403 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.652 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.4 p30 -92.99 92.92 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.781 0.8 . . . . 0.0 109.645 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.629 HD21 ' O ' ' A' ' 87' ' ' ASP . 8.3 tt -123.22 121.18 35.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.528 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.629 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.1 m-20 -58.96 141.58 53.36 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.897 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.41 -27.59 37.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 -9.32 59.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.853 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 58.1 mttp -100.02 -4.95 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.271 . . . . 0.0 110.526 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -69.13 114.5 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.506 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 27.7 t70 -112.79 124.43 31.77 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.7 Cg_exo -76.83 -5.46 15.97 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.97 2.447 . . . . 0.0 113.446 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.506 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 26.8 t70 -88.26 -31.13 19.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.438 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.467 HG13 ' NZ ' ' A' ' 82' ' ' LYS . 16.9 t -77.2 75.9 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 109.644 175.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 47.8 mt-30 -55.41 135.8 69.84 Favored Pre-proline 0 C--O 1.236 0.361 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.798 -173.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.714 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 55.6 Cg_endo -94.95 126.66 0.41 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.7 2.933 . . . . 0.0 111.968 171.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.79 151.11 45.55 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 111.792 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.63 126.73 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.056 0.455 . . . . 0.0 109.877 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.9 mt -104.48 179.47 4.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 7.7 t70 -52.0 136.75 37.41 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.243 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.57 -25.34 6.73 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.041 2.494 . . . . 0.0 113.72 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -70.22 -21.82 62.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.992 0.425 . . . . 0.0 110.803 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 108' ' ' VAL . 23.0 mtp-105 -47.93 -46.25 31.89 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.16 -5.58 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.754 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -92.61 -35.56 13.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 0.0 110.069 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -88.7 -33.57 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.007 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 104' ' ' ARG . 58.3 t -76.92 107.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.726 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -73.82 130.6 40.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.13 113.17 26.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -115.19 127.44 55.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.708 0.29 . . . . 0.0 110.878 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.5 m -86.87 121.3 29.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.195 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.8 p -68.25 141.24 55.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 111.449 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.53 -167.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.77 0.795 . . . . 0.0 111.106 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.37 -27.75 63.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.948 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -89.77 3.87 51.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.01 52.01 9.57 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.685 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.522 HH11 ' HB2' ' A' ' 118' ' ' ARG . 0.5 OUTLIER -130.53 147.84 52.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 38.6 p90 -129.08 139.19 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.082 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.48 126.2 54.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.495 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 17.8 m-85 -125.96 138.59 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 0.0 111.406 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -139.08 165.92 25.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.686 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.26 37.26 23.73 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.419 0.45 . . . . 0.0 111.722 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.477 HG23 HG22 ' A' ' 158' ' ' VAL . 45.9 mm -84.98 121.84 74.22 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.164 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 124' ' ' ILE . 13.9 Cg_exo -70.08 168.97 20.45 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.881 2.387 . . . . 0.0 112.112 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -79.2 116.97 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.65 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.57 -170.98 39.92 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 11.9 t -113.84 138.71 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.049 0.452 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 45.0 m-85 -132.87 164.06 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 -173.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -113.17 126.2 55.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.852 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 153' ' ' THR . 57.2 mt -94.14 104.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.1 p -108.2 130.09 55.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.117 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 4.7 p -151.59 146.49 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.659 0.266 . . . . 0.0 111.368 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.459 ' HG2' HG21 ' A' ' 151' ' ' THR . 46.5 mt-10 -102.02 103.85 14.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.557 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.506 ' HG ' ' HZ3' ' A' ' 137' ' ' TRP . 37.8 tp -120.13 111.03 17.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.9 p -141.04 130.68 24.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -174.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.78 ' HZ2' ' HG ' ' A' ' 54' ' ' SER . 44.5 p90 -139.99 151.56 45.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 p -94.54 128.66 41.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.025 0.44 . . . . 0.0 111.143 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.92 159.56 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -107.93 113.74 27.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.672 0.272 . . . . 0.0 110.427 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.1 t -87.62 -76.05 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.281 0.562 . . . . 0.0 110.443 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.17 63.84 1.41 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.088 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 76.48 -8.37 27.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.595 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -105.87 130.13 53.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 19.9 m -84.09 111.44 19.32 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.0 pt -98.97 153.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.281 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 13.6 m -99.32 99.9 10.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.45 108.52 15.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.043 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 133.15 -164.35 24.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.35 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.66 -157.98 29.18 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.7 p -91.0 112.45 24.36 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.15 132.91 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 6.8 p -120.44 116.4 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.741 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -109.67 121.36 45.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.964 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 66.3 tp -80.27 112.92 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.026 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.6 t -121.11 123.98 71.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 25.0 m -107.59 119.54 39.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.214 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 124' ' ' ILE . 42.7 t -97.25 123.12 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 4.07 50.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.519 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 159.92 -149.83 19.67 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.016 -1.087 . . . . 0.0 113.012 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.49 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.2 m -91.64 9.68 31.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.081 0.467 . . . . 0.0 110.999 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 163' ' ' PRO . 2.3 mp0 -78.82 138.01 57.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.278 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 162' ' ' GLN . 21.0 Cg_exo -64.93 124.23 12.79 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.705 2.27 . . . . 0.0 112.039 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.6 120.18 37.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.106 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 82.4 tttt -92.46 120.44 32.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.95 130.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.825 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.3 111.9 20.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.525 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 22.2 tp -82.14 90.08 6.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.99 0.9 . . . . 0.0 110.051 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 -178.09 5.99 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.432 ' HD2' ' OXT' ' A' ' 170' ' ' ARG . 6.0 ppt_? . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.91 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.03 144.15 21.04 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.541 2.16 . . . . 0.0 112.288 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -82.39 93.53 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.511 ' HB3' ' HD1' ' A' ' 75' ' ' TYR . 64.4 t80 -118.14 134.34 23.36 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.211 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.69 135.67 41.86 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.581 2.854 . . . . 0.0 113.042 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.47 32.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.653 -174.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.95 -16.31 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.637 0.256 . . . . 0.0 111.55 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.15 20.22 18.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.881 0.372 . . . . 0.0 111.086 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 28.9 3.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.397 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -105.69 23.35 14.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.813 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 61.34 -163.79 0.25 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.19 -63.42 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.45 99.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.218 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -101.78 174.94 24.97 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.254 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.65 8.97 0.88 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.22 150.38 23.69 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.477 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -118.58 118.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.87 112.25 28.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.683 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -102.36 99.01 9.05 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -110.03 121.59 6.05 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.161 -173.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -104.07 120.97 42.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 40.4 tp -102.01 130.61 48.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.894 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 30.7 p90 -166.45 125.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -112.27 136.2 52.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -84.31 118.34 24.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.685 175.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.579 ' HG ' ' HZ2' ' A' ' 137' ' ' TRP . 5.0 m -65.01 155.96 32.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.147 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.37 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.187 0.518 . . . . 0.0 110.277 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -77.24 -10.87 59.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.263 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.09 64.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.746 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -141.47 147.43 37.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 99.1 mt -104.89 101.89 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.424 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 15.1 mm100 -103.67 123.27 46.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.452 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 27.8 mmtp -66.49 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.455 0.472 . . . . 0.0 111.63 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.493 ' HA3' HD22 ' A' ' 50' ' ' LEU . . . 169.31 79.32 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -95.37 113.25 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 60.92 52.76 4.03 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.725 0.774 . . . . 0.0 109.308 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -110.97 131.02 55.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.077 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 27.4 ttpt -81.12 116.58 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.055 0.455 . . . . 0.0 111.063 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.66 114.85 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.28 113.06 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.385 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.8 tp -98.99 101.94 13.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.158 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 8.2 pt-20 -116.83 148.6 42.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.256 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.6 Cg_exo -72.99 136.79 25.51 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.005 2.47 . . . . 0.0 112.951 -177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.26 117.84 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 p -135.52 173.38 11.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 m -69.39 -45.4 69.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.929 0.395 . . . . 0.0 110.354 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.511 ' HD1' ' HB3' ' A' ' 30' ' ' PHE . 92.0 t80 -60.54 -37.21 80.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.346 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 1.5 tpt -76.37 -24.0 54.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.786 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.69 -41.24 90.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.91 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.76 -37.66 59.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.424 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -61.36 -36.45 80.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.42 -20.24 65.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.503 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -84.36 -47.8 10.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.342 . . . . 0.0 111.741 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.78 13.16 18.44 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.79 108.83 2.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.166 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.9 p30 43.27 72.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.804 0.811 . . . . 0.0 111.914 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 91' ' ' ARG . 1.8 tt -106.01 128.07 53.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.604 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.447 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . 13.9 t70 -62.69 144.03 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.407 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.511 ' HB3' ' HA2' ' A' ' 150' ' ' GLY . . . -65.23 -27.09 68.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 111.648 -176.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.18 -6.5 59.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 110.791 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HG3' ' HB3' ' A' ' 87' ' ' ASP . 9.4 mtmm -106.21 12.95 29.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 109.656 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.435 ' HA ' HD23 ' A' ' 86' ' ' LEU . 29.0 tpt85 -73.26 102.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.774 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.78 118.2 58.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.94 -7.56 20.12 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 113.735 -171.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.35 3.36 25.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.639 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.06 90.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 173.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 pm0 -91.84 149.4 38.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.957 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.24 115.17 3.17 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 111.311 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.64 163.78 20.37 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.161 2.574 . . . . 0.0 112.677 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.2 t -74.44 94.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HE1' ' A' ' 76' ' ' MET . 80.1 mt -83.66 177.28 8.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.16 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.503 ' OD1' ' HD2' ' A' ' 103' ' ' ARG . 14.3 t70 -69.03 132.69 90.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.752 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.2 Cg_exo -60.66 -8.84 9.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.653 2.902 . . . . 0.0 114.374 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.503 ' HD2' ' OD1' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -59.84 -27.15 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.96 0.346 . . . . 0.0 110.523 175.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -54.83 -40.96 70.13 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.11 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.19 -10.79 59.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.856 0.36 . . . . 0.0 111.25 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.43 -34.03 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.72 -22.33 12.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -84.28 128.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.838 0.351 . . . . 0.0 110.571 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -99.66 112.53 24.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.164 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.77 114.63 28.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -119.97 167.29 12.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.209 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 96.4 m -115.47 120.49 39.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.7 p -65.04 136.62 56.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.988 0.423 . . . . 0.0 111.3 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.03 172.24 9.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -57.11 -20.09 23.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.199 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -81.24 -3.06 51.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.554 0.216 . . . . 0.0 111.264 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.537 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.98 49.85 38.59 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.72 140.12 44.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.439 -0.381 . . . . 0.0 111.149 -171.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 43.4 p90 -128.62 137.33 51.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 169.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.93 121.92 22.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.136 -169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.507 ' HB3' HD11 ' A' ' 124' ' ' ILE . 62.6 m-85 -133.73 136.77 44.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.484 ' OD2' ' HD2' ' A' ' 123' ' ' HIS . 6.2 p-10 -127.82 -177.94 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 171.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.484 ' HD2' ' OD2' ' A' ' 122' ' ' ASP . 15.8 m-70 65.13 27.55 12.36 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -175.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 121' ' ' PHE . 49.6 mm -93.27 122.06 63.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.238 -171.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.55 165.91 25.72 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.908 2.405 . . . . 0.0 111.327 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -98.11 115.11 27.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.01 0.433 . . . . 0.0 110.84 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.5 -168.11 38.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.9 p -97.05 130.31 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.73 0.3 . . . . 0.0 110.793 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.77 154.6 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.046 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -105.36 118.07 35.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.03 105.47 17.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 9.6 t -109.47 135.24 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.924 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.9 m -147.13 129.11 15.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.608 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -90.08 91.81 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 109.964 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.611 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 40.1 tp -110.05 109.83 20.52 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.9 p -134.4 129.94 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.239 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.611 ' CZ3' ' HG ' ' A' ' 135' ' ' LEU . 28.2 p90 -136.27 140.52 43.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.966 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 17.9 p -88.26 122.24 31.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.234 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.13 128.64 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.577 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.527 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 23.8 pt20 -82.44 106.66 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.337 0.589 . . . . 0.0 110.394 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 p -112.31 115.68 29.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.367 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.6 t70 62.12 26.03 15.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.84 -22.28 38.88 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.195 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -94.81 118.87 32.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.2 m -83.44 116.66 22.62 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.636 -176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.27 152.92 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.9 m -87.25 93.68 9.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.15 120.94 21.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.076 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.63 -152.59 16.81 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.732 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.511 ' HA2' ' HB3' ' A' ' 88' ' ' ALA . . . 150.64 -158.81 27.85 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 25.0 m -92.3 102.53 15.03 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.6 p -90.26 131.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.885 0.374 . . . . 0.0 110.167 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.88 109.58 11.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.056 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -110.09 134.44 52.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.251 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.87 121.37 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.175 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.1 t -123.53 136.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.5 t -111.86 110.69 21.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.641 0.734 . . . . 0.0 110.513 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.35 108.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.369 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.8 m -134.64 36.3 3.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.376 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.16 148.8 19.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.305 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 22.4 p -98.48 16.55 21.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.334 0.588 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.453 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 52.5 mt-30 -123.59 163.28 35.61 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.626 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 96.4 Cg_exo -44.17 109.61 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.238 2.625 . . . . 0.0 113.63 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -95.22 112.87 24.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.561 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.95 103.75 9.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.449 . . . . 0.0 110.294 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.5 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 60.0 t -115.25 119.01 60.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.493 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 90.7 mt -92.07 108.79 20.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 50' ' ' LEU . 39.4 tp -80.53 96.42 6.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 0.0 109.46 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 13.8 t -160.66 145.95 14.56 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.466 ' C ' ' HE ' ' A' ' 170' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 91.2 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 6.5 Cg_exo -72.73 115.96 4.54 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.678 2.252 . . . . 0.0 111.526 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -70.3 -37.54 74.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -172.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -81.86 -39.99 0.96 Allowed Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 28' ' ' PRO . 76.8 Cg_exo -55.04 1.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.839 2.359 . . . . 0.0 115.067 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.52 -11.84 54.63 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.948 -0.47 . . . . 0.0 110.447 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -59.36 -25.25 64.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.008 173.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.496 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 20.6 tt0 -73.54 -10.97 60.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.917 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.65 -1.38 18.68 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.53 9.08 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 111.003 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.79 6.76 32.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.351 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -99.03 146.99 25.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.606 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -122.66 155.51 36.24 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -96.54 0.44 50.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.71 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -78.07 94.18 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.293 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -150.84 140.67 8.07 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.05 20.79 35.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.883 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.63 140.98 25.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.404 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.13 111.06 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 HG13 HG13 ' A' ' 124' ' ' ILE . 67.5 mt -93.45 122.2 44.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.747 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 14.0 m120 -114.47 103.6 11.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -116.25 139.34 15.2 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.309 -172.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -120.99 130.9 53.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 HD12 HD21 ' A' ' 168' ' ' LEU . 50.3 tp -101.57 123.5 45.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.721 -175.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HB3' ' HD2' ' A' ' 61' ' ' LYS . 28.7 p90 -162.73 116.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.305 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 169' ' ' THR . 83.0 mt -105.7 149.27 26.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 0.0 110.996 -177.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.04 122.29 27.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.929 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -76.76 163.15 27.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.838 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.71 68.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.565 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 p -81.0 -2.97 50.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.441 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.68 32.15 25.19 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.251 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.25 156.33 18.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.52 107.76 23.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.885 0.374 . . . . 0.0 110.437 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -104.84 125.74 51.2 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.5 mmmp? -73.0 -69.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.764 0.316 . . . . 0.0 111.581 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.31 101.2 2.23 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.192 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.4 m -109.89 138.58 46.06 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 61.39 32.24 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -101.72 130.1 48.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -84.84 118.06 24.26 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.263 0.554 . . . . 0.0 111.641 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.01 119.72 42.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.747 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.36 116.42 28.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -99.63 100.89 11.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.449 ' HG2' HG13 ' A' ' 108' ' ' VAL . 44.2 mt-10 -114.75 133.52 22.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.353 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 21.7 Cg_endo -61.62 131.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.961 2.441 . . . . 0.0 112.659 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.46 83.59 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.382 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.496 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 58.6 p -92.39 -176.67 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.983 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 p -68.14 -34.54 76.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.547 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.49 -39.1 71.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.486 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 81.1 mmm -74.03 -17.36 60.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.175 -177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -63.46 -42.42 98.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.345 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -73.64 -40.0 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.633 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -64.16 -37.63 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -66.62 -34.19 77.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.742 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.07 63.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 47.9 mtpt -84.85 -22.79 29.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.12 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -130.27 -82.54 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.242 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.56 -139.75 21.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.374 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.423 ' HB3' ' H ' ' A' ' 153' ' ' THR . 7.6 p30 -97.0 120.0 36.52 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -142.77 125.0 15.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 111.782 -171.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.41 146.19 49.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.542 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.32 64.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.667 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.28 -23.3 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 111.224 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -120.42 33.09 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.37 0.605 . . . . 0.0 110.457 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.479 ' HA ' HD21 ' A' ' 86' ' ' LEU . 22.8 tpp85 -69.64 106.64 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.273 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.84 119.5 77.09 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -96.61 12.88 1.06 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.256 2.637 . . . . 0.0 112.325 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.43 -48.86 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 105.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.938 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 29.7 pt20 -85.55 136.35 37.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.034 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 6.5 Cg_exo -74.04 119.35 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.795 2.33 . . . . 0.0 111.506 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.48 155.3 70.81 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.958 2.439 . . . . 0.0 112.266 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -70.05 105.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.762 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -87.1 169.2 12.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.292 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 12.9 t70 -62.02 135.86 94.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.373 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 46.2 Cg_exo -58.36 -13.69 17.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.758 2.972 . . . . 0.0 114.265 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.42 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 21.5 mmt85 -55.59 -26.42 43.72 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 111.181 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -58.52 -34.37 70.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.589 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -19.59 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 111.212 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.65 -38.13 10.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 46.6 m-85 -85.84 -32.47 21.71 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 70' ' ' GLU . 84.5 t -74.94 106.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.577 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -94.32 129.16 41.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.96 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.79 124.57 51.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.528 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -111.23 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.397 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.5 m -93.18 119.48 32.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.391 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.525 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 67.3 p -64.18 127.54 31.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -78.52 -95.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -97.79 -68.0 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.691 -171.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.09 6.38 16.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.375 . . . . 0.0 111.005 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.525 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 82.8 54.73 3.15 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.435 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -137.28 152.33 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -155.53 164.99 37.93 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.322 0.389 . . . . 0.0 110.264 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.24 158.5 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.699 0.285 . . . . 0.0 110.78 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.528 ' CE2' ' HB1' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -140.86 140.24 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.051 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -110.96 165.35 11.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.615 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.6 m80 63.01 70.72 0.54 Allowed 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.59 0.556 . . . . 0.0 111.178 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 50.2 mm -121.95 108.39 34.68 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.818 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.497 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 16.3 Cg_endo -61.06 137.48 71.97 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.168 1.912 . . . . 0.0 110.845 173.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -66.22 131.05 45.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.791 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.54 -163.57 36.28 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.713 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.5 p -104.23 132.99 49.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 111.084 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 95.7 m-85 -135.69 151.43 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.79 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 155' ' ' LEU . 22.2 m-85 -101.97 110.73 22.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.491 HD11 HG23 ' A' ' 156' ' ' VAL . 20.1 mt -94.35 107.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -115.06 136.37 53.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.113 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.0 m -138.56 139.79 38.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.462 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.04 91.65 8.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.485 . . . . 0.0 109.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.4 tp -125.65 96.55 4.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.562 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.408 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.4 t -131.34 142.98 50.17 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.704 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -138.24 155.35 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.224 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -108.25 146.07 33.39 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.824 0.345 . . . . 0.0 110.636 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.11 51.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.108 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -92.19 102.44 14.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.931 0.396 . . . . 0.0 110.4 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -107.6 127.71 53.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.675 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.16 -78.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.744 0.653 . . . . 0.0 111.154 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.94 19.87 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -133.71 159.57 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.3 m -93.55 113.39 25.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.808 0.337 . . . . 0.0 110.164 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.8 pt -98.18 162.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.503 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.9 m -113.57 123.83 50.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -118.24 119.96 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.884 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.84 179.28 24.46 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.121 -1.038 . . . . 0.0 112.579 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 165.8 -133.21 2.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 p -84.14 102.81 12.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.029 0.443 . . . . 0.0 110.222 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.66 97.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.75 0.786 . . . . 0.0 109.634 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.423 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 8.2 m -101.11 111.47 23.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.07 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -109.67 135.26 50.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.355 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 130' ' ' TYR . 50.3 tp -80.27 107.83 13.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.066 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.491 HG23 HD11 ' A' ' 131' ' ' ILE . 98.9 t -107.28 135.81 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.308 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.3 m -123.89 108.72 12.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.704 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.1 96.68 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -86.64 -29.81 22.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.259 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.57 15.72 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.368 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 6.0 m -82.62 56.51 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.408 0.623 . . . . 0.0 110.432 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.47 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 23.7 mt-30 -135.63 172.65 6.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 53.4 Cg_exo -53.87 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.237 1.958 . . . . 0.0 111.953 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -106.46 104.61 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.65 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 28.9 ttpp -82.16 110.83 17.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.486 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.9 t -105.96 113.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.383 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.92 102.99 15.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.717 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 50' ' ' LEU . 29.0 tp -81.75 94.66 7.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.506 ' HA ' HD22 ' A' ' 52' ' ' LEU . 15.3 t -156.82 172.93 17.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.534 -173.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.569 175.43 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.49 163.19 35.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.592 2.195 . . . . 0.0 112.652 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.1 82.72 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.9 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 86.2 m-85 -141.77 137.66 16.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.141 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' PHE . 6.9 Cg_exo -73.78 170.77 19.26 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.162 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -79.5 7.52 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -62.99 -22.27 66.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.03 -30.43 71.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.231 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.87 -22.4 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.07 10.93 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.927 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.91 17.76 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.685 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 126.09 27.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.805 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -82.27 -175.86 5.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.949 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -135.84 -54.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.204 0.526 . . . . 0.0 111.519 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.22 126.26 39.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.076 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 125' ' ' PRO . . . -174.92 138.58 4.41 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.129 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.99 33.85 5.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.889 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.22 83.86 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.735 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 66.4 t -82.42 110.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.5 mt -111.36 117.7 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -102.29 106.89 17.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.621 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.22 130.86 9.84 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.984 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.0 115.92 29.13 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD11 HD21 ' A' ' 168' ' ' LEU . 32.5 tp -94.17 133.64 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.239 -173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' HH ' HD12 ' A' ' 167' ' ' LEU . 34.9 p90 -170.97 124.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.356 172.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -110.99 150.43 29.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.01 132.82 36.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.643 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 t -81.63 157.22 24.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.716 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 -8.66 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.135 0.493 . . . . 0.0 110.706 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 m -93.4 -0.14 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.43 41.85 19.72 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.424 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.88 152.39 36.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.39 116.63 46.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 111.18 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 9.3 mm100 -94.29 123.26 37.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.963 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mmtt -82.88 -63.47 1.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.042 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.66 95.09 1.07 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.347 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -96.2 110.08 22.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 56.31 70.24 0.66 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.843 0.83 . . . . 0.0 109.367 -173.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -123.92 134.19 53.58 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.517 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -90.49 126.03 35.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.473 0.654 . . . . 0.0 112.59 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 60.4 t -102.42 116.88 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.259 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.2 123.13 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -100.61 99.44 10.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.86 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -108.29 141.7 23.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.009 0.433 . . . . 0.0 111.383 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.506 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 38.2 Cg_endo -67.09 131.62 25.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.013 2.475 . . . . 0.0 112.985 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HB2' HG21 ' A' ' 128' ' ' THR . . . -73.54 112.65 9.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 p -139.01 164.01 30.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.224 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.6 m -67.67 -23.67 65.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.94 0.4 . . . . 0.0 110.315 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.28 -41.41 96.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -80.38 -27.64 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.428 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -52.35 -51.4 59.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.655 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.0 66.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.88 -36.18 56.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.097 0.475 . . . . 0.0 110.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.663 ' HE1' HG21 ' A' ' 153' ' ' THR . 50.9 t80 -67.21 -32.7 73.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.076 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.77 68.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.988 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.33 -64.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -94.79 -93.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.06 -135.02 37.11 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.076 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 151' ' ' THR . 4.9 p30 -76.14 114.4 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.029 0.442 . . . . 0.0 109.834 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -148.65 132.66 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.307 -173.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.527 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -62.51 143.45 57.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.409 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.01 -22.12 66.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.717 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.54 -12.87 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.447 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 48.3 pttt -127.04 20.01 6.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.283 0.563 . . . . 0.0 109.678 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -79.47 93.32 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.656 -178.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.45 118.39 61.9 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.165 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.73 -10.71 7.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.619 2.213 . . . . 0.0 112.59 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.78 -43.98 11.47 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -74.12 90.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.376 0.608 . . . . 0.0 109.936 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.05 149.0 49.27 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.17 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 9.9 Cg_endo -53.4 150.59 26.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.375 2.717 . . . . 0.0 112.698 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 9.9 Cg_exo -71.72 -163.49 0.14 Allowed 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 123.069 2.513 . . . . 0.0 112.168 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.5 t -75.57 103.33 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.84 0.353 . . . . 0.0 110.13 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.1 164.0 13.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 17.8 t70 -72.64 127.9 89.19 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.339 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.84 -6.63 11.44 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.792 2.328 . . . . 0.0 112.915 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -83.96 -6.96 59.52 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 110.377 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 101' ' ' ASP . 15.9 mtm105 -57.43 -30.37 64.93 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.081 175.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.48 62.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.9 m -95.23 -39.57 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -79.94 -35.07 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.866 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -77.16 129.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.424 ' NH1' HG12 ' A' ' 124' ' ' ILE . 64.9 mtp180 -90.99 130.45 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.876 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.88 118.7 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.13 116.72 31.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.5 m -94.89 130.35 41.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.486 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.2 p -66.7 124.11 21.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.664 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.02 -60.36 3.43 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.849 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -163.27 -56.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.771 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 17.4 m120 -86.92 31.49 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.675 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 53.8 57.33 16.52 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.42 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -135.66 150.86 49.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.437 ' CE2' ' HA3' ' A' ' 48' ' ' GLY . 28.2 p90 -145.72 124.21 12.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.268 0.556 . . . . 0.0 109.739 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -111.4 124.03 51.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.953 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.523 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 50.2 m-85 -105.13 144.06 32.44 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.45 150.25 30.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.217 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.8 m80 60.37 67.41 0.85 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.292 0.568 . . . . 0.0 110.716 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 121' ' ' PHE . 43.2 mt -129.0 125.02 22.71 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.882 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.52 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 20.6 Cg_endo -61.36 133.69 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.307 2.004 . . . . 0.0 111.207 174.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -65.87 146.62 54.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.22 -176.36 35.22 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 72' ' ' ALA . 5.5 t -96.26 130.84 43.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.052 0.453 . . . . 0.0 110.484 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 97.6 m-85 -140.0 159.44 42.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.43 ' CE1' HD11 ' A' ' 155' ' ' LEU . 45.6 m-85 -105.43 126.97 52.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.957 174.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 153' ' ' THR . 64.5 mt -94.2 104.24 15.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 m -114.97 117.41 30.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.001 0.429 . . . . 0.0 110.59 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 13.2 p -134.19 133.34 40.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -100.33 100.88 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.048 0.451 . . . . 0.0 110.069 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.434 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 54.0 tp -108.83 102.0 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 p -115.14 138.17 51.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.459 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 42.9 p90 -145.66 157.01 44.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.6 m -102.13 132.31 48.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.918 0.39 . . . . 0.0 110.438 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 170.83 10.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.785 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -104.88 122.18 45.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.728 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.6 t -92.57 -88.98 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.601 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -111.68 15.97 20.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.556 0.693 . . . . 0.0 109.608 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 124.61 -18.85 7.15 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -88.46 145.12 25.95 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.9 m -92.91 112.67 24.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.1 pt -106.37 151.08 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.726 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.0 m -96.7 110.56 22.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.164 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -97.12 178.14 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 85.13 -134.11 12.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.585 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.31 -158.26 16.99 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 16.5 p -88.93 103.24 15.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.105 0.479 . . . . 0.0 110.218 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.91 123.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.948 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.663 HG21 ' HE1' ' A' ' 80' ' ' TYR . 10.1 m -117.19 128.07 54.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -110.83 119.35 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 130' ' ' TYR . 61.9 tp -80.86 116.9 21.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.32 130.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 3.4 t -118.07 94.59 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.482 0.658 . . . . 0.0 110.252 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.447 HG22 HD13 ' A' ' 46' ' ' ILE . 64.9 t -80.1 96.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.046 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.3 m -108.32 61.46 0.61 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.554 0.692 . . . . 0.0 109.744 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 173.59 -158.57 27.88 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.369 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 49.7 m -143.91 29.81 1.34 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 111.067 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.61 150.52 37.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.897 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.6 Cg_exo -60.0 105.74 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.449 2.099 . . . . 0.0 111.134 174.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -99.31 111.45 23.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.621 ' HZ1' ' HB3' ' A' ' 165' ' ' LYS . 6.5 ttpm? -79.02 117.51 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.632 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.621 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.9 t -125.38 127.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.358 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.461 HD12 ' HH ' ' A' ' 51' ' ' TYR . 87.5 mt -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.923 0.392 . . . . 0.0 110.038 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 50' ' ' LEU . 34.7 tp -81.79 85.08 6.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.775 0.798 . . . . 0.0 109.314 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.0 t -137.78 174.08 10.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.666 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.41 HH22 ' CG ' ' A' ' 87' ' ' ASP . 56.9 ttt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.526 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.118 0.485 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.9 -168.89 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.244 2.63 . . . . 0.0 112.712 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.63 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t70 -139.03 164.48 29.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.63 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 45.3 m-85 105.8 -50.22 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 125.207 1.403 . . . . 0.0 114.125 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.589 ' HD2' ' C ' ' A' ' 29' ' ' ASP . 50.4 Cg_endo -68.52 52.98 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 122.354 2.036 . . . . 0.0 113.445 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.61 -28.48 37.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.289 0.566 . . . . 0.0 110.537 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -72.85 -7.43 50.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.509 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.37 -20.82 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -68.17 -29.81 68.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.28 8.74 38.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.59 -16.62 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.781 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -90.65 -29.78 17.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.536 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 66.93 -164.6 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -122.24 -30.98 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.02 112.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 0.0 110.931 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -157.22 148.78 18.95 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.707 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 37.18 3.74 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.375 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -82.5 137.73 17.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.118 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.14 120.81 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.517 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 65.3 mt -116.81 127.81 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.765 0.316 . . . . 0.0 111.021 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.06 107.76 18.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -113.99 122.47 5.75 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.075 -1.06 . . . . 0.0 113.728 -171.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.46 124.56 48.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 168' ' ' LEU . 30.9 tp -105.28 125.54 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 29.4 p90 -161.03 113.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.464 0.65 . . . . 0.0 110.285 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 135' ' ' LEU . 93.1 mt -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.352 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -91.29 132.76 35.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.403 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 28.4 p -73.57 161.88 29.86 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.2 -10.3 53.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.656 0.741 . . . . 0.0 109.511 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 t -79.53 -15.15 58.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.359 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.74 32.87 8.24 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.897 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.7 121.99 40.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 110.712 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -89.34 121.8 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 21.3 mm-40 -106.64 125.99 51.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.686 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 27.4 mmtp -76.12 -21.89 56.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 178.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.38 84.57 0.81 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.71 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -99.48 137.24 38.25 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.7 t30 54.65 49.73 17.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.927 0.87 . . . . 0.0 109.439 -173.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -119.91 125.57 48.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.834 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 110' ' ' GLU . 81.8 tttt -94.34 119.04 32.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.196 0.522 . . . . 0.0 110.941 -173.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.29 138.48 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.461 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.61 112.19 22.51 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.44 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 109' ' ' ARG . 53.4 tp -95.97 110.47 22.68 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.756 ' HG2' HG22 ' A' ' 108' ' ' VAL . 36.9 mt-10 -117.52 143.32 31.96 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.052 -172.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 27.3 Cg_exo -64.37 147.65 90.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.792 2.328 . . . . 0.0 111.894 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.08 69.07 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.41 0.624 . . . . 0.0 109.995 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 133.14 47.3 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.645 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 t -52.14 -35.96 49.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 110.953 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.04 -44.81 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mmm -77.12 -18.53 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.684 -175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.654 ' HG3' ' HH ' ' A' ' 130' ' ' TYR . 87.6 tttt -59.31 -40.97 87.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.21 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.834 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.68 -40.22 96.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.463 ' HH ' ' CD ' ' A' ' 70' ' ' GLU . 37.8 m-85 -85.13 3.46 38.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 112.053 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.55 -29.62 46.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 164.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' A' ' 82' ' ' LYS . 30.5 mmmt -85.1 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.067 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -102.84 22.45 13.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.896 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -75.81 -68.95 1.45 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.971 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -111.18 93.79 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.018 0.437 . . . . 0.0 109.839 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.8 tt -136.83 113.4 10.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.574 -175.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.543 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . 3.4 m-20 -62.92 151.81 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.58 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.99 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.5 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 91.7 mttt -88.83 -3.3 58.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.463 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -61.9 103.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.465 ' HB3' HG23 ' A' ' 95' ' ' VAL . 23.1 t70 -103.64 132.77 20.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.264 -177.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -12.18 32.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.028 2.485 . . . . 0.0 113.555 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -91.65 -17.28 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 110.15 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 92' ' ' ASP . 31.2 t -94.84 93.18 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.05 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 91.7 mt-30 -104.86 135.39 19.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.563 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 8.3 Cg_exo -72.41 121.31 7.36 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.858 2.372 . . . . 0.0 111.988 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.6 163.82 37.41 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.075 2.517 . . . . 0.0 112.17 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.31 117.0 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.7 170.43 8.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.479 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.458 ' OD1' ' HG2' ' A' ' 103' ' ' ARG . 13.0 t70 -68.89 136.53 89.85 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.898 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 35.4 Cg_exo -61.22 -5.08 4.61 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.567 2.845 . . . . 0.0 114.45 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.698 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 1.4 mmp_? -55.44 -29.45 58.67 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 110.047 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -57.14 -38.08 72.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.318 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.95 -8.66 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.2 m -116.2 -44.73 2.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.375 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.694 ' HE2' ' HD3' ' A' ' 103' ' ' ARG . 64.8 m-85 -77.16 -20.57 55.32 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.756 HG22 ' HG2' ' A' ' 70' ' ' GLU . 78.9 t -78.27 106.18 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.477 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 33.7 mtp180 -77.6 123.78 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 0.0 110.235 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 31.5 mt-10 -102.46 131.48 49.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.48 -175.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.83 155.99 47.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.9 m -117.25 127.12 53.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.973 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.432 HG22 ' HD1' ' A' ' 119' ' ' PHE . 24.2 p -68.91 141.14 55.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.97 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.5 -174.95 5.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.697 0.284 . . . . 0.0 110.692 176.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -60.65 -26.93 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.487 HD21 ' HB2' ' A' ' 118' ' ' ARG . 8.2 t30 -75.88 -11.51 59.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.686 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.06 40.37 51.22 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.487 ' HB2' HD21 ' A' ' 116' ' ' ASN . 79.1 ttt180 -137.37 153.34 50.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.154 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.432 ' HD1' HG22 ' A' ' 113' ' ' THR . 41.7 p90 -147.77 167.48 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.909 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.45 143.44 26.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.517 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 53.6 m-85 -120.07 154.72 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.982 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.99 159.39 42.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.337 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 36.2 t-80 64.0 58.17 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.427 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.448 HG12 HH11 ' A' ' 109' ' ' ARG . 67.2 mt -129.07 129.5 23.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 141.71 95.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.305 2.003 . . . . 0.0 111.1 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.29 133.74 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.323 0.582 . . . . 0.0 111.754 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.7 -174.39 43.34 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 63.3 m -82.93 132.91 35.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.094 0.447 . . . . 0.0 110.701 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 86.1 m-85 -135.27 168.78 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.328 0.585 . . . . 0.0 111.224 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.654 ' HH ' ' HG3' ' A' ' 77' ' ' LYS . 65.5 m-85 -120.04 131.73 55.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.542 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 81.7 mt -101.06 104.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 m -98.7 129.17 45.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.81 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.1 m -143.55 127.93 17.84 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.881 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.23 91.36 7.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.494 HD23 HD13 ' A' ' 52' ' ' LEU . 53.7 tp -119.65 102.82 8.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.496 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.1 t -131.02 143.9 51.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.194 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -146.8 164.12 33.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.141 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.0 m -96.89 125.04 41.05 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.826 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.16 124.1 51.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.487 . . . . 0.0 110.511 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 140' ' ' GLN . 13.4 mt-30 -84.04 101.03 11.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.891 -177.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.9 t -106.74 107.45 18.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.268 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t70 66.13 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.904 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.16 -1.35 2.29 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.886 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.14 141.83 47.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.098 0.449 . . . . 0.0 110.537 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 2.1 m -87.53 114.39 24.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 27.4 pt -93.69 145.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.4 m -86.92 103.15 15.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.15 0.5 . . . . 0.0 110.174 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.403 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 6.5 mm-40 -98.87 142.33 30.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.97 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.04 -166.79 41.07 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.661 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.496 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 146.7 -138.55 7.43 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 26.3 m -88.09 106.88 18.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.89 0.345 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.79 121.71 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.077 0.465 . . . . 0.0 110.125 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 29.3 m -110.3 121.79 46.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.902 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 167' ' ' LEU . 61.4 tttp -109.42 125.94 52.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.1 tp -80.13 120.07 23.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.335 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.78 122.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.891 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 87.6 m -87.53 105.05 17.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.317 0.58 . . . . 0.0 109.801 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.9 89.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.696 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.4 m -108.42 8.43 27.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.449 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 164' ' ' GLN . . . -91.69 94.14 1.9 Allowed Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.794 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.556 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.1 t -71.93 -28.54 63.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -84.27 158.51 60.81 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 170.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.59 101.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.935 2.424 . . . . 0.0 112.735 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.435 ' HB2' ' HA3' ' A' ' 160' ' ' GLY . 58.3 tt0 -96.45 112.58 24.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.566 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -84.55 115.99 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 110.728 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.551 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 64.0 t -116.23 117.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.914 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.489 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 6.6 mp -89.61 109.53 20.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.118 0.485 . . . . 0.0 109.914 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.495 HD23 HD13 ' A' ' 50' ' ' LEU . 38.0 tp -77.34 98.72 5.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.676 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.5 t -167.36 170.9 11.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.438 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.773 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.1 -163.05 0.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.806 2.337 . . . . 0.0 111.38 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.589 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 t70 -78.44 -171.41 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 96.2 m-85 -112.37 91.82 17.6 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 122.134 -0.354 . . . . 0.0 111.306 -175.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 31.5 Cg_endo -97.79 115.59 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.704 2.936 . . . . 0.0 112.026 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -85.51 -6.27 59.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.317 0.579 . . . . 0.0 109.928 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -53.36 -41.24 65.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.528 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.9 -28.91 69.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.559 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.411 ' HB3' ' HE2' ' A' ' 107' ' ' TYR . 89.9 m-85 -85.17 -29.57 24.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.11 -20.83 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.68 31.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -100.47 -178.72 3.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.461 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -152.67 156.87 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -111.47 -11.3 14.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.83 95.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.615 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -151.74 146.56 15.44 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.759 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.69 17.7 6.07 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.96 135.04 25.88 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.081 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -108.74 106.3 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.8 mt -100.49 111.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.203 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -103.45 115.99 31.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.64 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -117.3 122.13 5.35 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.917 -172.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.55 109.26 21.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.484 HD11 HD21 ' A' ' 168' ' ' LEU . 37.9 tp -88.04 132.84 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.739 0.304 . . . . 0.0 110.927 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.465 ' HB2' HG23 ' A' ' 59' ' ' ILE . 43.7 p90 -171.15 126.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.965 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.3 134.18 55.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.666 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -82.99 126.78 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.235 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 m -74.79 158.95 32.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.681 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -10.23 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.433 0.635 . . . . 0.0 110.154 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 p -93.15 8.87 38.36 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.493 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.85 64.08 3.07 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.768 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -148.57 163.18 38.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 51' ' ' TYR . 53.1 mt -109.59 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.118 0.485 . . . . 0.0 111.425 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 15.5 mm100 -94.65 109.63 21.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 169.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -75.85 -25.97 56.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.58 86.24 0.99 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.63 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -104.89 129.47 53.24 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 62.22 40.83 11.18 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.641 0.588 . . . . 0.0 110.135 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 m -112.92 136.88 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.364 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.29 120.95 26.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.214 0.53 . . . . 0.0 111.807 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.81 116.7 43.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.433 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 109' ' ' ARG . . . -102.4 126.42 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tt -116.28 129.71 56.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 108' ' ' VAL . 6.2 pt-20 -138.96 155.44 72.96 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.798 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 16.5 Cg_exo -68.27 136.3 36.82 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.048 2.499 . . . . 0.0 112.614 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.16 106.22 9.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -100.78 166.92 10.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -77.58 -22.43 50.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.681 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -73.75 -37.45 65.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.596 ' HE2' ' CD2' ' A' ' 79' ' ' TYR . 3.7 tpt -75.5 -3.54 34.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.476 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -55.84 -42.53 75.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -68.39 -46.22 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.161 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.596 ' CD2' ' HE2' ' A' ' 76' ' ' MET . 66.6 t80 -63.93 -35.48 80.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.483 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' HE1' HG22 ' A' ' 153' ' ' THR . 90.2 t80 -62.83 -35.6 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 178.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.93 61.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 31.2 mmmt -72.84 -44.82 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.133 0.492 . . . . 0.0 110.319 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -124.69 -82.11 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.762 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.82 -128.17 42.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.929 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.0 p30 -80.34 78.14 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.914 0.864 . . . . 0.0 109.904 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 91' ' ' ARG . 6.9 tt -106.14 114.79 29.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.157 -174.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.12 149.53 47.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.562 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.89 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.8 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 55.7 pttt -107.44 27.9 8.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.522 ' HA ' HD21 ' A' ' 86' ' ' LEU . 16.3 tpp180 -67.51 101.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.1 t70 -77.04 119.76 78.84 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.903 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.0 Cg_endo -82.62 -9.0 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.785 2.323 . . . . 0.0 112.663 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.14 -43.44 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.624 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.63 110.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.42 0.629 . . . . 0.0 110.833 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -96.59 147.86 33.57 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.069 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.81 115.99 2.91 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.319 2.013 . . . . 0.0 111.63 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.38 174.94 11.31 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.875 2.383 . . . . 0.0 112.93 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.43 102.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.57 178.18 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.245 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -73.42 156.74 88.71 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.972 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.19 -8.91 17.7 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.883 2.389 . . . . 0.0 112.23 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -75.52 -25.69 57.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.007 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.2 mmp_? -44.44 -67.66 0.26 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.646 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -4.31 7.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.077 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.9 m -88.0 -43.7 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 0.0 110.448 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.411 ' HE2' ' HB3' ' A' ' 35' ' ' TYR . 65.7 m-85 -94.5 -21.31 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.82 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 104' ' ' ARG . 99.1 t -68.47 114.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 75.2 ttt180 -101.37 130.82 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.415 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.61 122.61 47.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.092 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.65 117.34 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.484 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 m -82.32 120.1 24.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.583 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.512 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 28.4 p -62.95 149.04 45.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.99 -164.27 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.476 0.655 . . . . 0.0 111.643 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -58.36 -35.58 72.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.707 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -77.97 -68.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.512 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 141.54 42.67 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.755 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -121.32 154.02 36.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -141.62 137.16 31.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.738 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -125.68 134.5 51.8 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 67.9 m-85 -116.8 150.25 38.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.44 168.17 20.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 21.6 t-80 65.76 38.69 5.1 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.728 0.775 . . . . 0.0 110.356 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 46' ' ' ILE . 1.6 mp -100.42 120.52 56.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.574 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.455 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 36.7 Cg_endo -69.0 152.6 73.2 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.259 1.973 . . . . 0.0 111.2 174.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -67.44 142.62 56.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.799 0.333 . . . . 0.0 110.42 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.12 -177.57 27.24 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.588 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.4 m -101.29 132.26 46.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.961 0.38 . . . . 0.0 110.908 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 81.0 m-85 -133.93 162.1 32.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.092 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.478 ' CE1' HD11 ' A' ' 155' ' ' LEU . 55.9 m-85 -110.04 120.77 43.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.219 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.47 HD12 HG23 ' A' ' 156' ' ' VAL . 59.2 mt -97.33 104.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 49.8 m -114.61 119.19 35.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t -125.33 131.87 52.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -96.06 91.31 5.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.39 0.614 . . . . 0.0 110.171 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -111.41 101.88 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.447 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.8 t -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.201 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.471 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 49.4 p90 -132.22 170.07 15.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.978 -175.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.5 p -117.4 123.41 46.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.51 137.34 53.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.529 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 67.5 mt-30 -85.47 110.51 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.04 0.448 . . . . 0.0 110.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.3 m -102.86 104.29 14.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 55.62 41.81 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.335 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.34 32.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.732 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -94.86 110.13 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.3 m -70.52 112.69 6.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.2 pt -106.0 152.2 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.1 m -99.11 112.21 24.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.268 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.447 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 37.7 mt-10 -104.19 150.3 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.6 178.12 45.32 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.361 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.12 -145.1 9.35 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 18.1 m -84.08 102.48 12.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 132' ' ' SER . 10.4 p -94.58 132.08 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.408 HG22 ' HE1' ' A' ' 80' ' ' TYR . 20.9 m -114.51 121.07 42.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.049 0.452 . . . . 0.0 110.852 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -109.54 117.25 33.47 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.379 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.478 HD11 ' CE1' ' A' ' 130' ' ' TYR . 56.0 tp -80.03 113.29 18.08 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.47 HG23 HD12 ' A' ' 131' ' ' ILE . 76.0 t -121.93 122.89 67.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 13.6 t -112.26 121.02 43.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.457 0.646 . . . . 0.0 109.579 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.41 112.69 27.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.222 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.1 p -66.62 -45.39 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.857 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -159.65 -167.63 20.54 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.352 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.431 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.5 m -83.91 58.24 4.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -120.15 167.08 13.33 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.047 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 107.47 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.73 2.287 . . . . 0.0 111.529 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -104.05 103.46 13.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.079 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.37 116.28 22.95 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.64 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.7 t -124.59 111.32 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.328 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.7 112.21 19.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 50' ' ' LEU . 29.8 tp -79.69 82.7 5.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.947 -177.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.1 t -140.41 -158.97 0.91 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.833 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 170' ' ' ARG . 7.2 tpt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.393 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' O ' ' HD2' ' A' ' 31' ' ' PRO . 34.8 Cg_endo -93.68 140.77 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.378 2.718 . . . . 0.0 112.739 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.62 -17.7 59.03 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 111.24 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.0 m-85 -61.5 -56.68 31.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -175.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 84.3 Cg_endo -79.53 21.41 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.135 1.89 . . . . 0.0 113.937 -172.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.561 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -86.7 40.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 0.0 109.764 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -95.75 0.88 52.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.96 -19.53 27.12 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 104' ' ' ARG . 11.7 m-30 -67.5 -30.43 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.249 0.477 . . . . 0.0 110.715 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 8.16 31.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.402 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.71 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -80.54 109.98 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.73 -179.63 7.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 68.53 103.85 0.05 Allowed 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.119 0.887 . . . . 0.0 110.47 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.37 130.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.399 0.618 . . . . 0.0 111.527 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.96 -164.89 15.45 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.149 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.26 3.99 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.129 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.25 101.24 1.23 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.524 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 50.6 t -82.92 106.42 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -93.43 106.13 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.635 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 3.9 t-20 -128.7 133.88 48.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.395 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.593 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -178.06 -163.9 30.41 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.534 -1.317 . . . . 0.0 113.194 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.58 155.53 45.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.648 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.632 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 23.4 tp -117.53 130.12 56.22 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.676 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 38.4 p90 -167.99 129.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 169' ' ' THR . 91.7 mt -119.75 125.6 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.41 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.52 HG22 HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -82.34 123.79 29.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.096 0.475 . . . . 0.0 110.61 174.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.598 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 13.5 p -80.59 164.22 23.07 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.194 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.0 -20.51 65.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.615 0.721 . . . . 0.0 109.268 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -74.03 -7.32 52.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.832 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.01 24.18 53.23 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.096 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.84 136.39 53.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.667 0.27 . . . . 0.0 110.649 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 53' ' ' THR . 97.5 mt -89.66 119.23 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.359 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 16.0 mm100 -100.65 108.95 20.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.845 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 17.9 mmtt -69.67 -16.68 63.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.743 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.33 94.48 0.22 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -107.14 132.29 53.19 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.12 26.64 13.96 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.141 0.496 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -91.71 138.19 31.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.301 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 5.2 mptp? -86.82 115.68 24.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.96 0.409 . . . . 0.0 111.222 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 86.1 t -93.75 105.25 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.45 108.45 21.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 130' ' ' TYR . 10.2 tt -104.63 112.68 25.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 108' ' ' VAL . 14.0 pt-20 -129.76 162.74 51.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.64 135.44 45.35 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.1 2.534 . . . . 0.0 113.613 -174.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 100.68 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.012 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.9 p -109.45 171.15 7.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 7.8 t -71.06 -30.54 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.291 0.567 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -68.9 -40.12 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.543 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -74.46 -32.8 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.756 -175.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 74' ' ' SER . 64.1 pttt -62.9 -26.68 68.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.645 0.26 . . . . 0.0 111.424 -176.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.26 67.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.109 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.76 -40.05 88.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.621 ' HE1' ' HB ' ' A' ' 153' ' ' THR . 72.1 t80 -61.08 -33.42 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.57 91.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.927 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.815 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 7.8 mmpt? -85.0 -53.53 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.385 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.08 80.85 1.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.676 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.13 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -111.51 106.61 15.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -134.8 121.49 20.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.946 -173.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.528 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -57.42 144.14 37.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.375 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.311 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.8 84.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.415 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 4.9 pttm -94.95 27.68 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.032 0.444 . . . . 0.0 110.958 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.524 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.1 tpt180 -72.31 107.5 4.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.719 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.39 118.98 71.07 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.831 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.75 -2.3 8.23 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.864 2.376 . . . . 0.0 113.146 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.05 -49.97 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 109.945 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.98 97.08 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.762 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -88.37 146.9 38.78 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.408 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.4 132.18 43.56 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.06 2.507 . . . . 0.0 112.426 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.36 142.92 98.01 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.139 2.559 . . . . 0.0 112.676 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -71.63 115.45 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.262 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.415 HD13 ' NH1' ' A' ' 104' ' ' ARG . 87.6 mt -97.2 167.62 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.576 ' OD1' ' HG3' ' A' ' 103' ' ' ARG . 12.5 t70 -72.15 140.52 82.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.999 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.71 -10.92 10.35 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.542 2.828 . . . . 0.0 114.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.576 ' HG3' ' OD1' ' A' ' 101' ' ' ASP . 78.3 mtt180 -49.95 -48.51 51.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 176.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 ptm180 -58.67 -39.54 80.95 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.921 0.391 . . . . 0.0 111.317 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -76.09 -39.06 56.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.6 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -84.83 -9.76 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.713 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 104' ' ' ARG . 42.9 t -69.95 118.95 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.021 0.439 . . . . 0.0 110.558 177.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.653 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.0 147.78 29.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.272 0.558 . . . . 0.0 110.962 -178.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -139.68 152.97 47.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.598 -176.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.7 m -96.94 115.89 28.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 p -56.59 141.39 43.39 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 112.011 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.41 168.53 8.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.575 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.37 64.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.363 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -95.35 19.91 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.541 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.495 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 56.86 60.48 8.94 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.196 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -137.32 150.47 47.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.38 135.42 42.64 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.145 0.497 . . . . 0.0 110.71 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.81 108.99 12.52 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.06 143.53 45.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.818 0.342 . . . . 0.0 111.673 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 7.8 p-10 -159.26 -174.44 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 64.2 m-70 70.4 30.72 3.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.791 0.436 . . . . 0.0 110.416 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.8 mt -121.17 127.42 26.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.399 -0.188 . . . . 0.0 111.123 -170.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.65 149.26 79.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.458 2.105 . . . . 0.0 111.256 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -68.75 150.62 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.896 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.08 -172.32 33.38 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.683 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.5 p -94.24 128.01 40.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.654 0.264 . . . . 0.0 110.783 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -131.09 158.84 39.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.976 0.417 . . . . 0.0 111.188 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 26.3 m-85 -111.27 128.9 56.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.043 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.406 HG23 HG11 ' A' ' 67' ' ' VAL . 52.9 mt -101.84 104.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -105.48 127.06 52.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.1 p -147.76 120.9 8.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.914 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 37.7 tt0 -90.1 91.24 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.846 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.5 tp -105.56 100.83 10.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.28 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 t -134.18 144.66 48.62 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.987 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.9 p90 -147.52 142.92 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.704 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.1 m -84.38 111.87 19.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.55 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -91.63 116.41 28.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.2 p -72.61 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.277 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -115.87 14.26 16.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.763 0.792 . . . . 0.0 108.911 174.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.32 -25.98 2.59 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.853 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -85.14 131.09 34.49 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -93.6 110.69 22.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.033 0.444 . . . . 0.0 110.293 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.7 pt -109.88 140.23 29.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.606 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 7.9 m -81.47 95.47 7.09 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.92 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.598 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 4.4 mt-10 -84.26 164.74 18.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.526 -177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.02 -149.36 31.05 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.777 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 147.89 -164.73 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.037 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 2.2 m -85.23 102.62 13.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.25 119.66 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.523 0.678 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.621 ' HB ' ' HE1' ' A' ' 80' ' ' TYR . 17.0 m -114.91 123.55 49.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.515 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -109.41 135.34 50.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.748 0.309 . . . . 0.0 110.433 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.9 tp -80.26 124.03 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.016 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.72 127.52 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.97 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.0 m -112.01 107.88 17.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.3 t -104.76 98.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.5 t -101.1 6.75 43.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.89 0.376 . . . . 0.0 110.8 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -141.77 157.88 26.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.471 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.7 m -87.83 35.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.046 0.45 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -119.12 154.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.061 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.524 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 34.1 Cg_exo -60.25 110.06 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.743 2.295 . . . . 0.0 112.692 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -96.96 127.2 42.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.437 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 12.0 tptt -84.51 121.56 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.835 0.35 . . . . 0.0 110.075 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.593 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 52.7 t -119.22 114.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.124 0.488 . . . . 0.0 110.882 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.13 112.29 24.1 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 50' ' ' LEU . 22.0 tp -85.09 95.92 9.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.373 0.606 . . . . 0.0 110.1 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.402 ' HA ' HD22 ' A' ' 52' ' ' LEU . 9.6 t -155.26 169.64 23.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.727 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.133 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 98' ' ' PRO . 91.1 mt . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.33 0.586 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.09 148.37 62.81 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.837 2.358 . . . . 0.0 111.882 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.08 105.21 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.147 0.499 . . . . 0.0 111.692 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HB2' ' HD1' ' A' ' 75' ' ' TYR . 66.2 m-85 -127.37 149.51 70.06 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 173.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.76 -169.91 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.624 2.216 . . . . 0.0 112.413 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -79.58 3.67 18.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -63.38 -41.01 98.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.225 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -68.98 -37.54 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -70.54 -32.81 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.85 -2.33 57.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.04 -4.88 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.531 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.6 p -79.09 74.54 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.339 0.59 . . . . 0.0 110.777 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -121.93 108.28 13.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.133 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -162.65 98.86 1.0 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 -177.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 t -74.31 102.64 2.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.023 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.42 146.1 17.61 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.514 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.4 44.06 1.66 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.786 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.22 104.94 1.36 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.539 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.24 105.95 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.755 HD13 HG23 ' A' ' 158' ' ' VAL . 50.5 mt -106.25 119.82 56.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.958 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.9 OUTLIER -103.96 117.45 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.994 175.037 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -115.18 123.01 5.8 Favored Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.049 -174.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.502 ' HB2' HD13 ' A' ' 167' ' ' LEU . 3.1 m-20 -110.56 112.16 23.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 25.2 tp -95.07 132.47 39.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.453 ' HE1' HD11 ' A' ' 167' ' ' LEU . 21.2 p90 -161.74 127.28 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 170.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.46 132.39 54.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.599 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 117.31 22.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.361 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 5.0 m -64.28 154.63 34.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.782 177.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.59 67.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.415 0.626 . . . . 0.0 109.822 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -73.68 -19.33 60.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.895 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.95 47.06 2.14 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.631 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.72 149.09 47.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -103.12 108.86 25.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 120.978 0.418 . . . . 0.0 110.613 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -105.95 117.03 32.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 33.0 mmtp -66.93 -72.15 0.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.45 97.45 0.18 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.663 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 p -105.82 135.91 46.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.12 31.37 19.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.401 HG21 ' O ' ' A' ' 134' ' ' GLU . 36.6 m -88.84 132.99 34.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.61 -174.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 133' ' ' SER . 5.9 tppt? -85.35 114.18 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.285 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -103.27 112.1 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.31 121.99 41.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.365 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 HG12 ' A' ' 131' ' ' ILE . 67.9 tp -117.06 114.46 23.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.43 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' A' ' 108' ' ' VAL . 17.1 pt-20 -142.08 154.07 64.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.834 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.3 140.07 43.46 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.791 2.327 . . . . 0.0 112.96 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.6 89.48 5.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -94.22 162.8 13.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -60.79 -23.19 64.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 0.0 111.357 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.518 ' HD1' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -72.38 -20.09 61.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.573 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 87.9 mmm -93.24 6.66 47.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.014 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -55.71 -58.36 8.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.36 -16.95 50.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 111.327 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.8 -45.49 71.11 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -72.04 -34.15 68.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.462 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.2 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.666 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -84.99 -25.08 27.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.95 -91.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.049 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.98 -117.6 11.86 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.953 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.2 p30 -92.72 114.12 26.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.428 0.632 . . . . 0.0 110.635 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -142.19 132.82 25.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.598 -179.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.85 175.18 10.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.277 0.56 . . . . 0.0 111.588 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -90.94 4.7 51.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.864 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.72 10.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -98.68 23.42 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HA ' HD22 ' A' ' 86' ' ' LEU . 23.2 tpp180 -66.32 105.99 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.714 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -91.27 119.0 68.82 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.084 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.17 1.72 8.68 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.777 2.318 . . . . 0.0 113.354 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.81 -39.05 7.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.737 0.304 . . . . 0.0 110.866 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 99.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 109.909 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.9 pt20 -103.4 139.71 20.37 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.237 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 17.2 Cg_exo -67.55 136.5 39.66 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.077 2.518 . . . . 0.0 112.204 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HG2' HD13 ' A' ' 27' ' ' LEU . 7.9 Cg_exo -71.83 144.54 43.79 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.77 2.313 . . . . 0.0 112.24 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.12 104.79 15.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.5 -165.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.012 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.623 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 27.3 t70 -60.04 137.19 90.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.424 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.81 -11.87 16.35 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.572 2.848 . . . . 0.0 114.428 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.623 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 1.7 mpp_? -60.76 -27.15 67.75 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.176 -0.328 . . . . 0.0 110.832 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' VAL . 73.3 mtp180 -57.3 -39.72 76.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 176.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.74 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 111.377 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m -87.52 -34.69 18.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -88.72 -29.91 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 70' ' ' GLU . 97.8 t -68.4 102.73 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.97 118.88 20.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.85 116.27 32.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.297 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.566 ' HB1' ' CZ ' ' A' ' 121' ' ' PHE . . . -113.26 132.69 55.44 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.198 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.3 m -96.06 112.06 23.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -55.43 149.72 12.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.812 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.56 -170.31 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.192 0.52 . . . . 0.0 110.15 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.36 -18.06 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.89 0.85 56.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.559 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.49 31.0 73.29 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -113.81 148.89 35.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.593 -0.304 . . . . 0.0 110.444 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.401 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 45.7 p90 -137.97 150.09 46.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.79 133.83 38.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.908 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.566 ' CZ ' ' HB1' ' A' ' 111' ' ' ALA . 66.6 m-85 -134.89 147.49 49.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -134.41 163.87 28.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 53.94 80.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.701 0.626 . . . . 0.0 110.94 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 121' ' ' PHE . 64.6 mt -129.37 130.1 23.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.247 -176.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.592 ' HB2' ' OH ' ' A' ' 129' ' ' TYR . 31.6 Cg_exo -59.74 147.16 93.34 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.582 2.188 . . . . 0.0 111.245 173.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.64 129.92 36.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.09 -168.94 38.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.524 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 29.4 m -89.35 126.71 35.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.859 0.361 . . . . 0.0 110.488 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 125' ' ' PRO . 70.3 m-85 -129.22 153.15 48.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.043 0.449 . . . . 0.0 111.198 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.2 120.76 41.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.152 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.509 HG12 HD13 ' A' ' 69' ' ' LEU . 80.0 mt -103.7 106.6 20.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 m -113.59 119.25 36.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.156 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 28.1 p -111.74 133.79 53.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.46 ' HG2' HG22 ' A' ' 151' ' ' THR . 42.8 mt-10 -90.09 91.39 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.192 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -126.85 98.15 5.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.734 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' THR . . . . . 0.408 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 6.3 t -132.07 139.03 48.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.861 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.483 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.0 p90 -139.09 156.05 47.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -173.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 p -101.7 111.42 23.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.178 0.513 . . . . 0.0 109.811 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.97 141.71 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -102.68 102.43 12.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.938 0.399 . . . . 0.0 110.3 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -79.67 86.05 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.368 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.2 t0 49.64 54.4 11.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.522 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 99.29 -14.04 61.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.209 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -101.3 107.15 18.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.013 0.407 . . . . 0.0 110.239 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 8.1 m -83.48 109.79 17.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.1 pt -114.65 165.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.727 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.2 m -115.44 101.49 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.1 mt-10 -92.61 176.59 6.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.04 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.68 -152.31 38.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.784 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 140.04 -129.95 4.47 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.73 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 3.1 p -116.09 105.69 12.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.667 0.27 . . . . 0.0 110.301 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.7 135.95 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 26.2 m -115.76 128.06 55.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.627 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 169' ' ' THR . 16.3 tppt? -109.61 125.73 52.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 60.3 tp -80.67 110.63 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.81 122.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 90.7 m -109.37 109.14 19.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.755 HG23 HD13 ' A' ' 46' ' ' ILE . 37.3 t -90.91 106.23 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.181 -178.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -113.51 24.03 12.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.45 141.77 8.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.882 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.452 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.7 p -83.36 -3.4 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.473 . . . . 0.0 110.786 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . 0.476 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 75.6 mt-30 -67.87 159.91 76.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 17.4 Cg_endo -59.32 115.27 2.47 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.652 2.235 . . . . 0.0 112.174 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -95.29 136.21 35.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.546 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -109.05 102.26 11.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.65 111.58 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 49' ' ' ASP . 4.5 mm? -84.6 107.24 16.71 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.486 ' HG ' HD12 ' A' ' 50' ' ' LEU . 30.5 tp -80.26 116.71 20.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.165 0.507 . . . . 0.0 109.652 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.444 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 14.7 t -177.49 -171.33 0.32 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.092 177.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 78' ' ' ALA . 61.0 mt . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.604 0.24 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.12 143.79 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.464 2.109 . . . . 0.0 111.763 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.73 93.51 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.409 0.624 . . . . 0.0 110.992 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -130.71 132.53 24.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.215 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.52 -167.09 0.17 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.616 2.211 . . . . 0.0 113.564 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.07 12.22 6.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.216 -173.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -78.64 -25.34 45.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.753 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.649 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 40.9 tt0 -75.18 -20.6 59.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.153 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.61 -17.43 62.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.76 4.13 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.74 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 0.0 110.611 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -119.24 161.11 20.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.121 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.66 -174.41 4.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.641 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -83.55 -21.14 32.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.315 0.579 . . . . 0.0 109.79 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.53 103.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.05 46.27 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.31 21.26 1.54 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.465 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.39 95.69 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.783 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 121' ' ' PHE . 66.3 t -77.98 108.43 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.759 0.314 . . . . 0.0 110.25 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -93.44 120.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -102.48 109.38 20.99 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -110.05 128.46 8.88 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.964 -170.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 118' ' ' ARG . 36.0 t70 -115.19 109.21 17.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD21 ' A' ' 168' ' ' LEU . 25.1 tp -98.74 130.56 45.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 50.4 p90 -162.24 131.86 4.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.814 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 152' ' ' VAL . 80.1 mt -113.59 145.7 40.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.24 0.543 . . . . 0.0 110.483 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -94.7 131.86 40.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.287 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HG ' ' HZ2' ' A' ' 137' ' ' TRP . 15.8 m -76.22 -177.84 4.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.799 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.47 -50.01 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 t -85.15 10.12 13.08 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.3 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.27 12.07 71.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.849 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 125.93 27.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -91.49 118.37 36.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.077 0.465 . . . . 0.0 111.654 -173.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -111.96 128.27 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.519 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 52.8 mmtt -69.49 -80.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.25 94.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.565 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.16 94.63 6.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.605 0.241 . . . . 0.0 111.298 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 56.34 67.18 1.03 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.484 0.659 . . . . 0.0 110.271 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m -107.73 149.37 28.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.628 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -87.26 111.56 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 111.402 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.457 ' HB ' ' HB1' ' A' ' 111' ' ' ALA . 62.0 t -98.24 105.45 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.31 122.85 40.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.848 0.356 . . . . 0.0 110.638 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 50.4 tp -105.28 99.03 8.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB3' HG22 ' A' ' 108' ' ' VAL . 5.0 pt-20 -110.23 145.77 32.84 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.776 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.56 138.65 38.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.001 2.467 . . . . 0.0 112.937 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 128' ' ' THR . . . -72.21 94.83 1.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.249 0.547 . . . . 0.0 110.195 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.649 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 17.4 p -116.7 170.24 8.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.018 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.3 m -83.68 -31.43 26.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -63.06 -45.23 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.415 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.45 ' HE3' ' HB3' ' A' ' 76' ' ' MET . 54.8 mtp -92.8 6.33 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.767 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.7 -42.25 88.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.007 0.432 . . . . 0.0 110.263 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HB3' HD22 ' A' ' 27' ' ' LEU . . . -73.5 -26.78 61.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.067 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -68.06 -42.66 80.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.69 -34.22 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.38 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -54.75 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.328 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.502 ' HB3' ' HZ1' ' A' ' 82' ' ' LYS . 6.9 mtpm? -67.08 -44.4 80.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.55 0.214 . . . . 0.0 111.468 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.481 ' HA ' HD12 ' A' ' 86' ' ' LEU . 96.8 m-85 -104.44 -96.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.617 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 50.28 -119.02 6.59 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.428 -0.415 . . . . 0.0 112.545 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -81.23 95.26 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 91' ' ' ARG . 9.8 tt -117.59 111.03 18.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.823 -171.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.459 ' O ' HD21 ' A' ' 86' ' ' LEU . 15.8 t70 -68.89 159.48 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.715 175.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.97 -29.28 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.355 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.32 -2.15 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.758 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 37.4 mtmt -103.94 4.91 35.2 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.446 -0.158 . . . . 0.0 111.037 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.8 ttp180 -65.15 108.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 110.275 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 117.02 35.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.327 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -94.41 7.08 2.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.082 2.521 . . . . 0.0 112.854 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -119.72 -43.62 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.853 0.359 . . . . 0.0 111.26 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 118.01 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.546 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 47.8 mt-30 -86.09 161.23 50.18 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.108 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 96' ' ' GLN . 12.4 Cg_endo -57.38 115.38 2.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.343 2.029 . . . . 0.0 111.566 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.06 138.87 75.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.891 2.394 . . . . 0.0 112.671 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.87 105.78 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.725 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.519 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 57.3 mt -93.19 -172.0 2.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.082 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.29 136.67 91.28 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.32 -20.9 12.24 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.56 2.84 . . . . 0.0 113.676 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -58.44 -27.51 64.42 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HD2' ' HB2' ' A' ' 100' ' ' LEU . 3.8 ptm180 -65.29 -25.76 67.78 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.099 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.75 -16.53 62.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.606 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.9 m -98.91 -44.59 6.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.782 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.84 -32.5 63.71 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 50.2 t -82.96 100.63 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.338 0.59 . . . . 0.0 109.426 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -86.18 124.89 33.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.405 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 35.0 mt-10 -102.07 133.21 47.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.458 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.457 ' HB1' ' HB ' ' A' ' 67' ' ' VAL . . . -114.19 129.5 56.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.141 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -95.4 109.09 21.31 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.7 p -64.52 151.79 43.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.322 0.582 . . . . 0.0 111.712 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -73.81 -173.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.37 -25.79 65.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.16 0.505 . . . . 0.0 110.011 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.1 10.12 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.001 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.52 36.23 90.86 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.127 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 49' ' ' ASP . 78.2 mtt180 -119.4 167.52 11.84 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 117.391 0.596 . . . . 0.0 111.873 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -167.27 169.86 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.786 -173.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -147.13 152.99 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.536 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 49.8 m-85 -133.78 155.19 50.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -156.49 -174.48 4.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.553 173.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.0 m170 62.88 30.14 16.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.258 0.552 . . . . 0.0 110.658 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 121' ' ' PHE . 69.8 mt -109.5 122.1 40.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.716 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.69 158.8 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.439 2.093 . . . . 0.0 111.317 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.1 137.76 58.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.42 -174.91 34.19 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.035 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.2 t -111.82 135.41 52.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.166 0.508 . . . . 0.0 111.257 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -136.84 170.21 16.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.481 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -111.32 128.7 56.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.013 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.7 mt -100.17 105.24 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -105.35 127.05 52.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.385 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -137.72 119.33 14.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.828 0.347 . . . . 0.0 110.311 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 44.5 tt0 -91.15 97.38 11.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.238 0.542 . . . . 0.0 110.015 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.24 109.32 15.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.522 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.2 t -137.82 142.64 40.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.046 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.446 ' HZ2' ' HG ' ' A' ' 54' ' ' SER . 31.4 p90 -142.68 153.91 43.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.28 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.9 p -84.49 138.94 32.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.01 163.11 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.518 . . . . 0.0 110.777 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -104.66 115.87 31.07 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.322 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.469 ' OG ' ' HG3' ' A' ' 144' ' ' LYS . 6.8 p -107.3 81.81 1.58 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.962 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 67.76 -84.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.689 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -117.38 -4.81 15.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.075 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.469 ' HG3' ' OG ' ' A' ' 141' ' ' SER . 22.1 pttm -125.65 148.77 48.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.507 -0.408 . . . . 0.0 111.33 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.9 m -97.24 118.17 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.852 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -109.55 170.53 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 0.0 111.288 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 20.6 m -102.73 108.84 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -92.46 150.73 20.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.472 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.39 -138.43 14.09 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.369 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.27 -161.11 26.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 13.0 m -96.04 102.76 14.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 52' ' ' LEU . 7.6 p -95.43 127.23 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.057 0.456 . . . . 0.0 110.327 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 35.8 m -132.12 117.98 19.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.928 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -109.31 148.94 30.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -84.88 111.26 19.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.904 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 131' ' ' ILE . 84.1 t -121.02 119.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 45.7 m -106.19 120.82 42.81 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.328 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 164' ' ' GLN . 57.9 t -79.69 114.81 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 39.7 m -80.81 -27.01 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.101 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -173.12 -164.8 29.06 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.103 -1.046 . . . . 0.0 112.966 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 15.49 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.38 0.61 . . . . 0.0 110.396 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -91.97 165.56 19.93 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.442 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.82 110.78 1.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.4 2.067 . . . . 0.0 111.702 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . 0.443 ' HG3' HG13 ' A' ' 158' ' ' VAL . 13.7 mm100 -95.25 97.28 9.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -86.69 113.49 22.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.962 0.411 . . . . 0.0 110.408 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.5 122.95 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.663 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.68 111.29 23.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.474 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.488 HD21 HD12 ' A' ' 50' ' ' LEU . 23.7 tp -87.92 95.41 10.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.306 0.574 . . . . 0.0 109.652 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.5 t -163.27 172.01 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.292 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.543 177.296 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 98' ' ' PRO . 64.8 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 19.6 Cg_endo -58.44 -33.36 97.85 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.229 2.62 . . . . 0.0 114.355 -167.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 31' ' ' PRO . 10.2 t0 -164.36 166.49 20.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -177.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.441 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 87.1 t80 -85.52 -54.85 0.42 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HD2' ' OD1' ' A' ' 29' ' ' ASP . 9.5 Cg_endo -52.99 121.01 8.58 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.168 1.912 . . . . 0.0 112.917 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -116.95 24.19 11.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.664 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -61.75 -12.9 19.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -21.59 63.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 173.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 32' ' ' GLU . 34.5 m-85 -63.76 -34.37 77.74 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 173.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.42 2.48 28.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.579 -173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -30.03 60.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.152 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 p -92.1 112.99 25.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -89.26 -174.43 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.72 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -105.07 7.3 33.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.413 0.625 . . . . 0.0 110.317 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.64 117.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.881 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.626 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 176.7 165.17 31.82 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.93 20.43 7.65 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.12 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.97 109.36 2.85 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.952 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 75.7 t -97.85 116.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.5 118.8 57.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.41 104.25 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.79 122.12 7.39 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.931 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.76 109.0 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.47 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 35.5 tp -90.51 130.42 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.487 ' HB2' HG23 ' A' ' 59' ' ' ILE . 48.6 p90 -174.96 123.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.594 0.559 . . . . 0.0 110.164 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 170' ' ' ARG . 60.7 mt -108.45 153.56 23.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.443 HG22 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -107.71 122.28 46.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.913 0.387 . . . . 0.0 111.629 -177.099 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 m -69.19 150.91 46.96 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 170.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.06 66.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.3 p -76.5 1.5 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.48 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.95 56.81 2.65 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.288 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.29 125.69 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.643 0.258 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' ' 51' ' ' TYR . 21.9 mm -79.05 105.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.008 173.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -92.13 109.54 20.91 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 5.1 mmtt -63.72 -71.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.925 -170.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.79 80.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.197 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -84.44 101.47 12.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.809 0.338 . . . . 0.0 111.346 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 62.87 47.83 4.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -95.51 134.19 38.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.139 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -78.75 122.46 26.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.037 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.25 130.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.719 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.42 140.66 46.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.93 0.395 . . . . 0.0 111.078 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.11 101.24 8.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.982 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.502 ' HA ' HG21 ' A' ' 108' ' ' VAL . 42.2 mt-10 -103.68 141.84 23.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.785 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD3' HG21 ' A' ' 108' ' ' VAL . 15.3 Cg_exo -69.26 119.5 6.47 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.752 2.301 . . . . 0.0 111.89 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.6 104.41 8.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.762 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -159.19 -161.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.315 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -73.35 -165.61 0.27 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.474 0.31 . . . . 0.0 110.311 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 t80 73.23 -53.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.226 0.611 . . . . 0.0 111.279 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtp -90.24 17.23 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.414 -0.179 . . . . 0.0 111.338 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 54.7 tttm -57.36 -46.28 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.25 -15.07 51.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.152 0.501 . . . . 0.0 110.874 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CE1' ' HD2' ' A' ' 98' ' ' PRO . 42.5 t80 -71.24 -41.49 70.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.763 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -81.12 -5.84 58.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.919 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.17 -37.75 23.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.246 0.546 . . . . 0.0 109.765 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.857 ' HZ2' ' HG3' ' A' ' 98' ' ' PRO . 98.5 mttt -71.87 -48.95 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.288 175.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -103.59 -86.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.893 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.65 43.02 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -85.86 87.93 7.48 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.607 ' HG ' ' HB3' ' A' ' 90' ' ' LYS . 7.1 tt -102.46 105.0 15.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.657 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.46 162.73 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.17 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -18.78 65.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.23 -0.294 . . . . 0.0 111.337 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.64 -18.96 59.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.026 173.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.607 ' HB3' ' HG ' ' A' ' 86' ' ' LEU . 15.1 mmmt -94.01 6.55 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.162 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -73.64 85.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.842 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 95' ' ' VAL . 33.2 t70 -114.3 134.46 22.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.097 -173.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 29.6 Cg_exo -62.73 -31.85 78.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.203 2.602 . . . . 0.0 113.578 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.17 -8.09 59.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.464 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 92' ' ' ASP . 42.6 t -81.13 77.33 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -83.12 131.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.958 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 120.55 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.797 2.331 . . . . 0.0 111.145 174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.857 ' HG3' ' HZ2' ' A' ' 82' ' ' LYS . 39.3 Cg_exo -60.71 157.36 37.87 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.847 2.365 . . . . 0.0 111.984 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.16 91.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 110.433 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -86.34 158.07 19.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.167 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.01 136.55 61.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.307 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.82 -18.78 17.12 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.543 2.829 . . . . 0.0 113.87 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -57.67 -29.24 64.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.3 ptt180 -62.07 -36.78 82.71 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 -8.21 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.206 0.526 . . . . 0.0 111.041 -177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -86.82 -39.4 15.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.898 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.66 -40.76 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.41 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 104' ' ' ARG . 94.2 t -69.02 121.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -102.88 146.53 28.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.78 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.92 143.75 41.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.632 ' HB1' ' HZ ' ' A' ' 121' ' ' PHE . . . -124.06 161.04 26.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.5 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.4 m -136.44 108.77 7.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.479 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 24.8 p -68.43 138.27 55.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -177.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.84 -161.02 0.67 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.87 -32.31 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.877 0.471 . . . . 0.0 111.431 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -75.91 -14.68 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.479 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.542 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 59.51 43.83 97.24 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -137.41 148.23 46.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.592 -0.358 . . . . 0.0 110.225 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.12 154.19 44.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.17 148.3 34.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.985 0.422 . . . . 0.0 110.845 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.632 ' HZ ' ' HB1' ' A' ' 111' ' ' ALA . 73.5 m-85 -136.94 153.41 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.43 173.84 11.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.789 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.626 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 13.9 m80 61.5 47.73 6.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.129 0.49 . . . . 0.0 111.436 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.7 mt -120.89 131.07 24.58 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.859 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.77 158.43 56.27 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.293 1.995 . . . . 0.0 110.968 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -85.79 143.72 28.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.173 0.511 . . . . 0.0 111.112 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.36 -158.74 30.16 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.799 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 p -102.58 128.72 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -132.39 149.98 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.29 120.1 40.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 153' ' ' THR . 46.0 mt -94.78 104.83 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 p -108.33 128.65 54.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 t -150.75 124.21 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.839 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.541 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 6.8 pt-20 -98.35 91.36 5.17 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.894 0.854 . . . . 0.0 111.078 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.14 99.22 9.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.329 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.4 t -120.94 138.17 54.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.012 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.451 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 48.5 p90 -133.91 151.33 51.47 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.704 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 p -97.55 121.3 39.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.853 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.07 114.11 26.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 85.4 mt-30 -81.04 92.25 6.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.189 0.519 . . . . 0.0 109.912 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.0 m -100.75 108.27 20.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.369 -175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 65.95 14.07 9.39 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.32 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 109.55 -15.97 31.86 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.774 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -92.41 109.82 21.22 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 17.0 m -81.42 99.38 8.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.303 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.9 pt -96.17 150.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.178 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 39.8 m -107.59 102.86 12.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.08 0.466 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 42.0 mt-10 -96.77 179.3 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.382 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 78.77 -150.83 34.92 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.259 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 137.58 -162.33 25.45 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.671 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 19.9 m -86.74 102.48 14.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.8 0.333 . . . . 0.0 110.175 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.46 133.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 28.5 m -125.74 117.36 23.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.251 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.493 ' HZ2' ' HB3' ' A' ' 154' ' ' LYS . 1.9 mmmp? -109.69 127.79 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.0 103.03 11.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.419 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.92 117.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.6 m -100.79 96.72 7.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.136 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.93 104.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 p -64.39 -35.38 80.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.26 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.72 -160.08 13.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 70.2 m -81.5 60.29 4.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.821 0.819 . . . . 0.0 109.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.26 151.15 44.07 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.094 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.483 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 57.8 Cg_endo -76.51 91.4 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.102 1.868 . . . . 0.0 111.344 172.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -97.68 132.77 43.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.593 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -99.19 118.1 35.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.594 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.03 126.53 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.175 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.32 100.43 13.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.459 HD22 HD11 ' A' ' 50' ' ' LEU . 48.8 tp -80.13 85.46 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.5 t -137.14 161.09 37.08 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.758 -173.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.408 ' HB3' HD21 ' A' ' 52' ' ' LEU . 49.3 ttt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.219 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 59.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 26.3 Cg_exo -62.33 152.15 78.37 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.799 2.332 . . . . 0.0 112.701 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -101.84 -36.62 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.928 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.1 m-85 -72.55 -53.16 6.01 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -175.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.563 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 7.8 Cg_exo -73.31 29.14 0.3 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.92 2.413 . . . . 0.0 114.392 -171.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -76.52 -26.9 55.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.365 0.602 . . . . 0.0 110.107 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -76.49 -8.57 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.102 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.66 -13.52 62.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.599 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -66.4 -21.31 66.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.02 14.2 22.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.465 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.08 17.12 14.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 110.796 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 145.39 35.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.473 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -129.52 155.37 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.588 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.13 -30.87 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.196 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.13 117.75 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.823 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.08 112.64 0.35 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.49 -4.73 62.18 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.19 -1.005 . . . . 0.0 113.09 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.687 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -54.37 122.06 22.59 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.659 -0.305 . . . . 0.0 113.533 -174.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.66 127.79 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.916 0.388 . . . . 0.0 110.648 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.08 123.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.655 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 18.4 t-20 -135.43 109.52 8.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -151.84 171.81 31.24 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 119.149 -1.501 . . . . 0.0 114.3 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.58 145.99 36.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.32 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 tp -105.93 121.9 45.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 42.3 p90 -158.18 133.74 8.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.71 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.96 162.19 21.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.857 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 p -95.05 123.78 38.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.672 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -76.61 162.4 27.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.72 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.905 0.383 . . . . 0.0 111.546 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -77.54 -1.29 29.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.77 32.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.222 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.65 143.55 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.13 106.91 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.802 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.86 112.24 24.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.549 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 23.9 mmtp -72.9 -65.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.319 0.387 . . . . 0.0 111.39 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.81 122.62 5.12 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.895 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.454 HG21 ' HA ' ' A' ' 115' ' ' GLN . 23.8 p -115.77 143.5 45.3 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.883 -0.186 . . . . 0.0 110.505 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER 61.19 22.5 12.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.752 0.787 . . . . 0.0 109.414 -179.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -85.15 134.64 34.16 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.563 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -85.67 104.63 15.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.06 0.457 . . . . 0.0 111.231 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 111' ' ' ALA . 82.7 t -85.67 107.5 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.389 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.79 115.6 28.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.9 0.381 . . . . 0.0 111.219 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 109' ' ' ARG . 48.1 tp -93.2 107.97 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.668 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.448 ' HG2' HG22 ' A' ' 108' ' ' VAL . 33.1 mt-10 -113.56 145.05 32.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 -175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 13.1 Cg_exo -70.2 116.15 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.619 2.212 . . . . 0.0 112.278 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.66 123.91 31.59 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.701 HG22 ' H ' ' A' ' 75' ' ' TYR . 13.9 t -156.12 -168.79 2.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -174.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.485 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 57.3 m -74.81 -11.88 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.377 . . . . 0.0 111.486 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.701 ' H ' HG22 ' A' ' 73' ' ' THR . 38.8 t80 -91.54 173.83 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.2 mmm 73.33 5.15 5.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.892 0.477 . . . . 0.0 112.036 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 74' ' ' SER . 73.5 mmtt -51.96 -70.72 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -58.02 -28.7 64.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.02 -177.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.37 -52.81 62.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -70.79 -28.21 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.12 63.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.404 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 43.3 mtpt -82.71 -31.53 28.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.515 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -115.99 -82.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.576 0.227 . . . . 0.0 110.907 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -115.76 8.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.181 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 151' ' ' THR . 96.1 m-20 -100.99 91.0 4.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 110.331 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.36 137.62 40.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.907 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.441 ' OD2' ' HB1' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -76.47 132.86 39.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.212 173.69 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.34 67.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.158 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB1' ' OD2' ' A' ' 87' ' ' ASP . . . -67.56 -23.4 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -116.64 39.92 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 111.054 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 119.61 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.34 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -89.5 117.73 68.43 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -86.18 -1.63 8.59 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.797 2.331 . . . . 0.0 112.82 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.22 -43.03 5.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.0 110.348 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.62 100.55 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.48 144.54 28.97 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.049 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.61 117.66 4.55 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.541 2.161 . . . . 0.0 111.322 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.64 132.02 38.4 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.68 2.253 . . . . 0.0 112.431 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.98 89.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -81.7 -23.92 36.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.553 -177.024 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' HD11 ' A' ' 100' ' ' LEU . 10.2 t70 -164.58 126.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.5 -17.52 23.59 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.897 2.398 . . . . 0.0 113.427 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -71.66 -9.9 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -57.24 -30.15 64.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.8 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -17.51 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.2 m -103.9 -28.17 11.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.021 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -88.66 -21.31 24.01 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 70' ' ' GLU . 74.1 t -82.6 115.73 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.128 0.489 . . . . 0.0 110.171 177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 69.3 ttt180 -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.679 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.08 130.79 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 0.0 111.52 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.455 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . . . -116.39 113.14 22.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.926 172.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 64' ' ' ASN . 94.7 m -82.23 113.83 20.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.643 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 33.7 p -61.32 128.91 38.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.0 111.52 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.56 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 33.9 t70 -73.59 -177.42 2.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.97 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.56 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 62.0 tt0 -57.42 -29.76 64.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.773 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -82.29 -0.33 45.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.416 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.554 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 66.99 41.79 93.01 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.318 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 45.3 ttm180 -124.95 145.4 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -128.4 148.55 50.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.76 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -145.77 142.84 29.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.629 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.602 ' CB ' HD13 ' A' ' 124' ' ' ILE . 51.7 m-85 -135.19 114.0 11.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.893 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -96.11 148.55 22.57 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 58.81 86.34 0.09 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.185 0.993 . . . . 0.0 111.428 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.602 HD13 ' CB ' ' A' ' 121' ' ' PHE . 67.6 mt -129.29 133.7 25.45 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.329 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.13 129.13 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.126 1.884 . . . . 0.0 110.972 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.6 129.03 39.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.983 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.55 -164.55 38.04 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.089 -177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -107.48 132.03 53.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -133.76 154.66 50.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.202 0.525 . . . . 0.0 111.651 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.413 ' CE1' HD23 ' A' ' 155' ' ' LEU . 35.5 m-85 -102.3 141.48 35.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.944 171.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.457 HD13 HG21 ' A' ' 156' ' ' VAL . 48.2 mt -116.25 108.73 25.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.2 m -103.14 119.02 38.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.04 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -137.65 126.26 23.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.964 0.411 . . . . 0.0 110.704 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.458 ' HB3' HG22 ' A' ' 151' ' ' THR . 13.8 pt-20 -103.38 102.57 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.51 0.672 . . . . 0.0 110.536 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.2 tp -111.73 118.83 36.7 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.2 p -124.92 139.08 54.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -138.91 137.29 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.803 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 9.8 m -94.34 109.1 20.97 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.198 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.93 145.57 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.646 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 90.0 mt-30 -82.52 105.41 13.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.12 0.486 . . . . 0.0 110.52 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.3 t -103.88 105.34 15.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.825 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.33 16.33 9.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.658 173.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 127.42 -33.86 3.19 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.648 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -96.52 130.59 43.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 111.165 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 12.6 m -84.26 96.5 9.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 109.885 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.75 144.17 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.671 -175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' THR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 138' ' ' SER . 34.0 m -94.01 101.97 14.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -83.62 178.34 8.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.547 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 111.54 -152.09 17.71 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.775 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 141.35 -161.76 26.9 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.5 p -93.24 113.19 25.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.939 0.37 . . . . 0.0 110.57 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.43 108.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.728 0.775 . . . . 0.0 109.247 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 10.9 m -105.7 110.48 22.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.507 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -112.51 137.26 50.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.413 HD23 ' CE1' ' A' ' 130' ' ' TYR . 3.2 tm? -81.79 121.45 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.395 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.457 HG21 HD13 ' A' ' 131' ' ' ILE . 92.1 t -127.05 121.71 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.141 0.496 . . . . 0.0 110.316 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.3 t -103.75 133.83 48.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.91 96.22 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.2 m -99.88 -7.91 24.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -137.46 147.88 19.49 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.427 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.687 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.2 m -75.26 -30.14 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.203 0.525 . . . . 0.0 110.304 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.3 151.25 97.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.59 125.47 18.85 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 123.022 2.482 . . . . 0.0 113.869 -171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.49 114.84 26.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.804 172.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 62.7 tttp -80.56 115.95 20.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.456 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 60.2 t -124.1 114.81 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.539 -174.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 69.9 mt -83.29 105.5 14.29 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 171.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.3 tt -81.1 93.62 6.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.826 0.822 . . . . 0.0 109.654 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 169' ' ' THR . 14.8 t -155.19 123.4 5.88 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.2 177.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 170' ' ' ARG . 8.5 mmm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.365 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.37 173.19 14.18 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.57 2.18 . . . . 0.0 112.171 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.12 146.98 41.2 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -72.02 116.13 45.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.996 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 75' ' ' TYR . 32.3 Cg_exo -59.08 -42.31 52.43 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.51 2.14 . . . . 0.0 111.252 176.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 63.56 -73.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.669 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -59.11 -21.07 58.69 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.663 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 41.9 tt0 -62.65 -33.87 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.383 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.85 -44.36 90.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.203 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.46 -7.42 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.454 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.69 45.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -96.48 155.83 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 16.2 mm100 -86.03 152.38 22.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.602 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -97.28 -42.69 7.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 110.149 -178.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.15 120.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.73 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA3' ' N ' ' A' ' 125' ' ' PRO . . . -129.53 -164.84 11.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.865 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.52 -4.07 17.96 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.269 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.36 121.11 10.91 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.81 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.73 116.97 48.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.2 mt -109.99 110.84 33.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.577 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 15.6 m120 -102.71 104.88 15.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -103.98 141.37 15.24 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.969 -1.11 . . . . 0.0 113.461 -171.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -116.71 109.57 17.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.7 tp -88.41 127.92 35.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.475 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.9 p90 -168.79 110.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.657 0.741 . . . . 0.0 110.114 173.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 HD22 ' A' ' 135' ' ' LEU . 90.1 mt -99.41 115.25 28.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.277 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 125.48 30.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.92 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 19.7 m -68.66 162.37 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -14.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.066 0.46 . . . . 0.0 111.111 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -80.2 -11.81 59.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 8.69 62.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.243 -0.98 . . . . 0.0 112.331 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.39 133.96 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -95.79 112.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 0.0 111.651 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.46 112.44 24.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.812 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.485 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 39.5 mmtt -78.11 -3.29 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.65 85.02 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.151 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 115' ' ' GLN . 34.3 p -94.53 125.15 38.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.909 -0.171 . . . . 0.0 110.67 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.0 t30 62.58 35.88 14.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.799 0.809 . . . . 0.0 109.608 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -95.83 137.42 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.613 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -92.21 118.01 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.589 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.52 127.44 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.668 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.24 121.65 44.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tt -103.51 113.92 27.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.444 ' CD ' ' HH ' ' A' ' 80' ' ' TYR . 39.4 mt-10 -115.34 146.94 37.54 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.954 -174.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.97 128.06 12.78 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.47 2.113 . . . . 0.0 112.14 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.14 105.77 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.059 0.457 . . . . 0.0 110.854 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.663 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 56.5 p -103.09 -173.6 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.38 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -78.52 -21.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.364 0.602 . . . . 0.0 109.538 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 19.9 t80 -81.84 -30.85 31.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.329 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 1.5 mmt -80.29 58.83 3.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 111.288 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -123.71 -67.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.103 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -57.52 -40.2 78.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.781 -176.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.43 -46.53 89.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.882 0.372 . . . . 0.0 110.589 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.514 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 20.5 m-85 -85.1 1.09 49.38 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.63 -28.12 28.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 169.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 54.2 mttm -85.16 -62.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.48 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -91.65 -1.1 57.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.735 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -70.56 119.23 8.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.87 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.626 ' HA ' ' O ' ' A' ' 151' ' ' THR . 31.5 m-80 52.39 59.48 4.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.329 0.585 . . . . 0.0 111.025 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.4 tt -102.58 112.83 25.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.544 0.687 . . . . 0.0 109.748 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.648 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 13.7 t70 -65.82 158.01 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.561 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.93 -26.84 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 111.256 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.87 -11.64 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.648 ' HD3' ' H ' ' A' ' 87' ' ' ASP . 28.3 mtpp -96.88 13.12 29.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.557 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 91' ' ' ARG . 9.9 mmt180 -80.57 93.53 6.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -82.65 131.16 55.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.831 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.78 -15.99 48.87 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.995 2.463 . . . . 0.0 113.753 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -97.39 -22.6 16.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.971 0.415 . . . . 0.0 110.909 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.51 97.18 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 64.4 mt-30 -97.13 137.69 21.24 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.16 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 5.9 Cg_exo -73.03 116.45 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.69 2.26 . . . . 0.0 112.106 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.56 146.0 34.03 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.852 2.368 . . . . 0.0 112.259 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.63 121.65 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.5 mt -94.54 -169.33 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -65.59 150.82 95.62 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.702 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.52 -11.17 18.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.909 2.406 . . . . 0.0 112.765 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -39.59 90.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.476 ' O ' HG21 ' A' ' 108' ' ' VAL . 51.9 mtp85 -48.53 -49.46 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.354 174.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.3 -30.4 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -79.6 -42.19 25.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.684 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -95.06 -16.28 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -170.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 104' ' ' ARG . 69.4 t -73.6 121.93 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 0.0 110.086 176.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -95.94 120.72 36.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.71 128.73 47.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -123.98 144.68 49.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.8 m -108.67 111.39 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.512 HG23 ' HB3' ' A' ' 119' ' ' PHE . 36.0 p -67.4 135.41 53.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 0.0 112.193 -172.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.713 ' HB2' ' HB2' ' A' ' 118' ' ' ARG . 8.7 m-20 -66.84 170.99 5.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.464 176.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.469 ' HA ' HG23 ' A' ' 63' ' ' THR . 48.6 tt0 -70.76 -18.4 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 0.0 110.56 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -92.27 15.65 13.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.109 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.0 45.43 83.08 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.616 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.713 ' HB2' ' HB2' ' A' ' 114' ' ' ASP . 1.6 mmp_? -111.6 133.25 53.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.738 -0.231 . . . . 0.0 111.438 -175.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.512 ' HB3' HG23 ' A' ' 113' ' ' THR . 50.2 p90 -145.33 126.19 14.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -119.42 115.03 23.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.458 -168.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.545 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 60.9 m-85 -113.26 142.35 45.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.861 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.04 148.69 30.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.999 -173.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.74 63.6 1.46 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.527 0.68 . . . . 0.0 111.526 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 59.0 mt -122.15 127.09 26.06 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.516 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.505 ' HG2' ' O ' ' A' ' 39' ' ' GLN . 37.3 Cg_exo -62.56 160.14 33.41 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 112.545 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 158' ' ' VAL . 5.8 m-20 -69.99 136.7 50.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.731 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.3 -172.7 34.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.292 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -97.62 134.09 41.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -134.74 156.78 48.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.514 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -113.66 117.7 32.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.377 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.446 HD11 HG22 ' A' ' 156' ' ' VAL . 56.5 mt -97.42 107.37 19.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 10.4 t -124.13 125.71 44.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.327 -176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 p -137.49 134.29 35.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.34 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.17 109.21 20.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.077 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.485 HD22 HD12 ' A' ' 52' ' ' LEU . 55.2 tp -132.53 111.09 10.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.711 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.487 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 38.5 p90 -146.38 175.16 10.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 145' ' ' THR . 78.0 p -123.73 125.44 44.75 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.12 137.05 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.84 129.27 34.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.035 0.445 . . . . 0.0 110.395 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.3 m -124.74 71.35 1.16 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.1 t70 58.23 81.39 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.036 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.21 -45.15 3.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.128 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -89.53 123.24 33.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.999 0.4 . . . . 0.0 110.962 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 138' ' ' SER . 2.8 m -99.36 96.79 7.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.952 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.9 pt -85.94 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.174 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.7 m -94.09 123.88 37.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.487 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 45.1 mt-10 -116.18 167.99 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 92.79 -161.01 25.59 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.606 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.46 -144.19 14.89 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 12.7 p -90.43 102.64 15.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.016 0.408 . . . . 0.0 110.394 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.2 p -91.53 121.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.142 0.496 . . . . 0.0 109.719 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 21.0 m -116.96 120.86 39.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.606 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -113.33 123.91 51.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.529 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 tp -84.15 106.48 15.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 131' ' ' ILE . 61.6 t -105.55 120.05 55.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 22.3 m -99.31 102.49 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.162 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 46' ' ' ILE . 41.3 t -83.99 93.36 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.9 p -108.06 23.39 14.56 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.422 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.88 158.53 31.54 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.272 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.8 p -97.64 10.91 38.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 0.0 110.93 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -81.91 153.66 69.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.697 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.88 111.65 1.27 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.451 2.101 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -105.73 120.46 41.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.849 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 79.9 tttt -83.19 113.43 20.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.12 0.486 . . . . 0.0 110.302 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.447 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 77.1 t -108.96 117.27 53.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.456 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 167' ' ' LEU . 5.4 mp -90.86 115.68 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 17.2 tp -80.81 85.07 6.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.815 0.817 . . . . 0.0 110.023 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -152.27 160.18 43.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 113.875 -1.511 . . . . 0.0 107.626 174.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.696 -174.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.93 -175.28 0.91 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.634 2.223 . . . . 0.0 112.992 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.646 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 30.6 t70 -51.8 137.61 25.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.599 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 12.5 p90 -97.38 106.52 32.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.646 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 51.6 Cg_endo -100.72 114.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.351 0 C-N-CA 123.623 2.882 . . . . 0.0 111.761 170.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.25 12.89 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.01 0.433 . . . . 0.0 110.858 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.408 ' H ' ' C ' ' A' ' 31' ' ' PRO . 4.9 m80 -57.8 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.049 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' 73' ' ' THR . 28.3 mt-10 -65.37 -21.15 66.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.067 -173.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -73.87 -19.17 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.593 0.235 . . . . 0.0 111.35 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.38 -4.72 26.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -15.02 62.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.584 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 4.8 p -78.5 -24.74 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.525 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 58.2 -98.91 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' HE1' ' A' ' 123' ' ' HIS . 47.2 tt0 -179.52 -52.52 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.192 0.52 . . . . 0.0 110.522 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 7.2 p -63.22 134.63 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.349 -176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.41 158.47 21.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.849 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.02 7.55 10.03 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.496 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.16 117.75 7.56 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.121 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.08 122.17 60.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -107.04 121.43 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.372 . . . . 0.0 110.479 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.49 101.95 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -108.96 132.42 11.08 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.227 -173.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -120.85 114.24 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 57.9 tp -94.47 128.33 40.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -171.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.598 ' HH ' HD12 ' A' ' 167' ' ' LEU . 24.3 p90 -166.38 115.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.357 0.599 . . . . 0.0 110.532 173.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 169' ' ' THR . 90.0 mt -99.36 133.07 44.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.045 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 0.8 OUTLIER -65.08 163.34 15.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.392 176.475 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.37 -25.49 66.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.25 0.547 . . . . 0.0 109.901 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.13 -5.5 58.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.333 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.52 19.75 77.96 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.979 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.2 mt 61.75 99.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.437 0.637 . . . . 0.0 111.385 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -97.84 127.62 43.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.186 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 57.5 mmtt -74.29 -71.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.371 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.4 93.52 0.37 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.783 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.81 115.8 28.45 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.578 0.228 . . . . 0.0 110.961 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 62.56 33.66 15.73 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.282 0.563 . . . . 0.0 110.664 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -91.27 145.17 24.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.158 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -96.29 121.52 38.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.83 119.57 51.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.429 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.37 138.7 38.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 129' ' ' TYR . 58.6 tp -111.29 104.64 13.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.838 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 130' ' ' TYR . 21.6 mm-40 -97.7 144.75 28.53 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.536 -176.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 6.0 Cg_exo -78.6 129.79 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.056 2.504 . . . . 0.0 111.506 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.542 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . . . -67.81 107.59 2.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.126 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.423 HG21 ' HB2' ' A' ' 34' ' ' GLU . 71.7 p -126.75 154.92 43.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.543 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 29.4 m -75.85 -23.73 55.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.429 0.633 . . . . 0.0 109.62 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.626 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 27.4 t80 -61.1 -38.02 84.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.732 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.533 ' HG2' ' HB3' ' A' ' 79' ' ' TYR . 9.9 ttt -87.18 24.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.828 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 74' ' ' SER . 31.5 tptt -58.88 -58.37 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.094 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.28 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.779 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.533 ' HB3' ' HG2' ' A' ' 76' ' ' MET . 20.1 t80 -69.03 -37.87 78.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -76.2 -26.41 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.227 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.35 -51.85 13.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.551 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 20.4 mtpt -81.73 -36.44 28.6 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -104.58 -96.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.388 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.73 -116.88 5.28 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.224 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.538 ' H ' HD21 ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.75 84.21 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.273 1.035 . . . . 0.0 110.055 175.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.786 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.0 tt -104.33 113.68 27.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.288 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.966 172.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.72 -18.8 64.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.928 0.394 . . . . 0.0 110.769 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 -17.02 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.672 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 pttm -120.38 29.38 7.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.343 0.592 . . . . 0.0 110.384 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HA ' HD23 ' A' ' 86' ' ' LEU . 14.2 tpt180 -69.52 106.42 2.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.683 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.94 115.2 9.67 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.956 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -86.89 19.66 1.35 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.763 2.309 . . . . 0.0 113.144 -173.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.09 -57.9 2.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.882 0.372 . . . . 0.0 110.631 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.87 116.02 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.676 0.75 . . . . 0.0 111.758 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.3 162.3 25.14 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.709 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.74 114.12 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.515 2.143 . . . . 0.0 112.499 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.46 170.72 14.31 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 112.382 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -77.1 81.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.389 0.614 . . . . 0.0 110.098 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.908 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . 30.2 mt -64.14 151.74 42.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.605 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.8 m-20 -55.7 138.75 69.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.66 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -59.89 -11.63 15.78 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.833 3.022 . . . . 0.0 113.568 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.522 ' HD2' ' HE2' ' A' ' 107' ' ' TYR . 16.8 tpp180 -55.92 -40.99 73.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.101 0.477 . . . . 0.0 110.511 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.908 ' HE ' ' HB2' ' A' ' 100' ' ' LEU . 34.9 ptt85 -65.95 -33.31 75.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.5 m -91.25 -48.46 6.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.956 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.522 ' HE2' ' HD2' ' A' ' 103' ' ' ARG . 97.1 m-85 -85.5 -26.75 26.07 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.95 118.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -108.7 125.33 51.78 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.263 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.23 148.42 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.09 124.82 31.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.3 m -82.34 120.1 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 32.7 p -63.42 135.91 57.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.542 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 14.2 t70 -68.19 173.28 4.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.231 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.45 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 6.5 tp-100 -49.23 -38.8 27.67 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.183 0.993 . . . . 0.0 112.958 -175.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.493 HD22 ' HB2' ' A' ' 118' ' ' ARG . 2.2 p-10 -87.99 8.62 25.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.289 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.413 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 74.9 51.01 8.13 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.007 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . 0.493 ' HB2' HD22 ' A' ' 116' ' ' ASN . 39.7 ttm180 -131.84 147.64 52.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.508 -0.407 . . . . 0.0 110.765 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -144.59 148.92 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.74 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.41 141.67 49.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.523 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 78.2 m-85 -129.31 148.36 51.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.454 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.09 171.29 17.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.419 ' HE1' ' HG2' ' A' ' 40' ' ' GLN . 28.7 t-80 60.21 47.47 9.24 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.785 0.678 . . . . 0.0 110.3 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.467 HD13 ' HB3' ' A' ' 121' ' ' PHE . 61.1 mt -116.79 132.84 23.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.928 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.517 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.7 Cg_exo -68.55 162.94 38.75 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.961 2.441 . . . . 0.0 111.601 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -81.54 144.81 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 0.0 111.029 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.41 -175.67 29.36 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.982 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' THR . . . . . 0.579 HG23 ' HB ' ' A' ' 157' ' ' THR . 13.6 p -93.56 127.24 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB3' HD12 ' A' ' 69' ' ' LEU . 93.5 m-85 -124.98 155.92 38.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HA ' ' A' ' 72' ' ' ALA . 46.9 m-85 -101.24 108.17 19.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.174 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 156' ' ' VAL . 10.8 mt -94.29 109.59 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.2 t -113.03 126.69 55.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.199 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -130.46 120.06 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.961 0.41 . . . . 0.0 110.348 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -93.32 101.9 14.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.388 0.613 . . . . 0.0 110.191 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.3 tp -119.15 101.37 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.736 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -115.07 122.76 47.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.454 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.554 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 43.0 p90 -127.15 171.53 11.33 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.685 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 p -120.35 114.65 22.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.655 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.27 149.21 36.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.345 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -88.33 107.92 19.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.085 0.469 . . . . 0.0 110.963 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.9 t -89.41 80.87 6.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.2 t70 67.35 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.119 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -127.32 -1.69 6.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.164 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -108.58 117.79 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.628 0.252 . . . . 0.0 110.657 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 42.3 m -80.57 99.49 8.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.974 0.416 . . . . 0.0 109.885 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 pt -92.85 157.44 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.734 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.6 m -104.2 101.2 10.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.032 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.554 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.5 mt-10 -88.31 162.95 16.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 101.5 -144.04 16.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.36 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.93 -149.42 20.42 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.5 m -108.1 102.58 11.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.905 0.383 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -94.46 116.19 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.391 0.615 . . . . 0.0 110.051 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 58.3 m -118.04 121.82 41.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.495 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 169' ' ' THR . 60.3 mttm -109.35 140.9 42.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 128' ' ' THR . 59.4 tp -82.42 97.33 8.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . 0.495 HG23 HD13 ' A' ' 131' ' ' ILE . 89.7 t -97.39 109.82 24.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.419 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . 0.579 ' HB ' HG23 ' A' ' 128' ' ' THR . 3.2 t -95.88 105.82 17.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.769 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.15 84.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 38.6 t -73.53 -34.04 65.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.843 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.09 157.21 17.58 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.455 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.99 13.91 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.983 0.421 . . . . 0.0 111.679 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -87.45 160.9 47.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.2 111.89 1.0 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.55 2.167 . . . . 0.0 112.326 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -94.93 107.46 19.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.527 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -84.67 119.9 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.455 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 55.4 t -121.92 114.63 43.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 -176.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.598 HD12 ' HH ' ' A' ' 51' ' ' TYR . 94.3 mt -81.58 109.63 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.55 93.88 6.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.534 0.683 . . . . 0.0 109.527 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.502 ' HA ' HD21 ' A' ' 52' ' ' LEU . 12.4 t -153.82 -152.7 0.43 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.305 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.836 175.042 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 82.8 mt . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 111.308 0.114 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.506 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 15.6 Cg_exo -66.64 -76.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.28 1.987 . . . . 0.0 113.724 -173.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -168.71 -168.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 56.99 81.32 0.26 Allowed Pre-proline 0 N--CA 1.466 0.332 0 C-N-CA 123.273 0.629 . . . . 0.0 111.268 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 33' ' ' HIS . 12.7 Cg_exo -69.15 82.46 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.011 2.474 . . . . 0.0 113.152 -175.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 68.69 -24.14 0.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.4 t-80 -57.49 -23.74 51.79 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.668 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 54.4 tt0 -62.03 -28.0 69.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 111.114 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.416 ' HH ' ' HD2' ' A' ' 75' ' ' TYR . 76.6 m-85 -79.82 -7.67 58.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.425 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.53 -2.69 58.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.62 3.47 29.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 111.455 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m -86.27 84.4 7.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.944 0.402 . . . . 0.0 111.313 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -149.6 110.98 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.543 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 178.03 110.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 123.526 0.517 . . . . 0.0 110.27 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.38 138.26 23.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -126.38 -174.23 13.79 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.018 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 20.69 2.54 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.49 114.65 3.98 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.617 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.516 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 21.9 t -92.14 115.4 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 158' ' ' VAL . 28.6 mt -116.06 111.73 36.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.26 -176.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 13.0 m120 -102.35 118.93 37.92 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -103.1 119.81 6.55 Favored Glycine 0 C--N 1.315 -0.589 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.671 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HB3' ' HG ' ' A' ' 167' ' ' LEU . 1.0 OUTLIER -96.65 108.9 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.109 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.496 HD12 HD21 ' A' ' 168' ' ' LEU . 45.3 tp -93.33 134.76 35.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.112 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -176.06 121.82 0.17 Allowed 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.953 0.783 . . . . 0.0 109.956 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 135' ' ' LEU . 78.0 mt -109.22 119.46 39.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.231 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -78.78 126.26 30.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -70.83 165.23 23.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -14.69 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 111.426 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.5 m -88.46 0.83 55.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.89 85.55 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.24 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.46 138.13 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -95.83 113.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -176.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -90.04 96.81 10.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 4.7 tmtt? -63.87 -29.85 71.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.919 -172.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.01 101.31 0.65 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.182 -1.008 . . . . 0.0 111.597 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 118.33 36.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.692 -0.299 . . . . 0.0 110.333 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 57.97 38.74 26.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.659 0.599 . . . . 0.0 111.114 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.7 m -83.41 137.83 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -91.58 120.93 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.882 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.8 142.78 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.208 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.67 120.34 39.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.827 0.346 . . . . 0.0 110.316 177.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -104.09 104.13 14.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.976 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.469 ' HG2' HG22 ' A' ' 108' ' ' VAL . 49.4 mt-10 -104.28 139.23 19.9 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HG2' ' HB3' ' A' ' 107' ' ' TYR . 23.7 Cg_exo -65.01 120.04 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.22 1.946 . . . . 0.0 110.944 173.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.32 103.23 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.884 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.668 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 33.1 p -104.61 164.08 12.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.743 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -68.94 -28.73 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.54 0.686 . . . . 0.0 109.355 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.416 ' HD2' ' HH ' ' A' ' 35' ' ' TYR . 41.8 t80 -61.52 -31.27 71.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.225 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 96.6 mmm -96.34 3.48 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.41 -43.94 92.94 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' HG3' ' A' ' 28' ' ' PRO . . . -72.95 -25.29 60.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.238 0.542 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -76.74 -40.64 47.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.59 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.769 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.56 94.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.919 0.39 . . . . 0.0 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -85.22 -57.62 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.742 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -98.52 7.65 45.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.163 -168.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.98 -58.74 10.74 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.372 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -133.95 94.41 3.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 0.0 109.989 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 6.3 tt -124.61 119.27 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.444 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.2 150.14 49.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.782 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.28 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -21.48 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.246 0.546 . . . . 0.0 109.999 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 14.2 mmmm -88.68 -2.74 58.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.255 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -68.83 94.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.507 ' HB3' HG22 ' A' ' 95' ' ' VAL . 11.3 t70 -104.25 136.19 19.22 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.018 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.77 -19.26 30.24 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.169 2.579 . . . . 0.0 113.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.86 -27.97 60.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.284 0.564 . . . . 0.0 110.361 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 92' ' ' ASP . 14.9 t -82.87 73.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.152 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.78 142.4 26.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.566 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.97 115.25 4.23 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.884 2.389 . . . . 0.0 111.921 177.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.49 157.08 63.32 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.732 2.288 . . . . 0.0 111.77 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.63 110.23 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.012 0.434 . . . . 0.0 110.449 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.28 -162.64 0.96 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.52 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 21.2 t70 -70.63 131.09 88.17 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.492 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.86 -24.66 60.86 Favored 'Trans proline' 0 N--CA 1.473 0.319 0 C-N-CA 123.28 2.654 . . . . 0.0 113.636 -176.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.52 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 68.0 mtm180 -68.88 -13.44 62.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -55.87 -34.34 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -23.52 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.369 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 m -92.67 -32.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.505 ' HB3' ' HG2' ' A' ' 71' ' ' PRO . 26.6 m-85 -83.93 -38.24 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.945 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.469 HG22 ' HG2' ' A' ' 70' ' ' GLU . 98.1 t -68.89 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.042 0.449 . . . . 0.0 110.166 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -87.71 127.09 35.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.182 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.68 130.31 48.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.14 157.23 43.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.726 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.8 m -126.21 120.29 29.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.717 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.497 HG23 ' HD1' ' A' ' 119' ' ' PHE . 70.1 p -58.94 133.73 56.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.42 -177.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -70.22 -179.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.61 -24.85 58.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -86.67 4.1 41.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.057 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.509 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 66.8 42.87 92.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.357 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.2 ttp85 -137.36 145.06 42.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.497 ' HD1' HG23 ' A' ' 113' ' ' THR . 14.5 p90 -123.23 123.92 41.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.005 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -111.87 127.51 55.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 119' ' ' PHE . 92.5 m-85 -116.36 153.08 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.352 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -162.18 -177.91 6.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 173.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 77.9 m-70 63.72 28.69 14.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -174.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . 0.507 ' C ' ' HA3' ' A' ' 42' ' ' GLY . 67.1 mt -109.61 134.54 20.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.644 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.31 178.45 5.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.768 2.312 . . . . 0.0 112.019 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -91.81 141.09 29.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.43 -167.46 35.09 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.965 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.4 p -97.27 134.8 40.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.574 0.226 . . . . 0.0 110.891 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -134.67 149.8 50.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.442 ' CE1' HD13 ' A' ' 155' ' ' LEU . 32.0 m-85 -103.13 121.53 42.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.883 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 153' ' ' THR . 74.2 mt -97.49 104.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.0 m -111.88 142.64 44.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.09 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.411 ' OG ' HD23 ' A' ' 168' ' ' LEU . 18.2 p -157.18 143.1 17.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -109.92 105.62 14.86 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 52' ' ' LEU . 48.1 tp -125.83 111.84 15.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.1 p -121.37 137.47 54.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.201 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.475 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.2 p90 -133.59 155.14 50.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.271 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' SER . . . . . 0.408 ' HB2' HG23 ' A' ' 145' ' ' THR . 8.8 p -98.3 123.61 42.48 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -81.1 119.12 23.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.417 0.627 . . . . 0.0 110.305 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.5 m -106.25 -146.55 0.39 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.155 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.79 84.74 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.878 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.05 -12.31 54.35 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.27 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -125.8 142.62 51.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.981 0.39 . . . . 0.0 110.646 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 138' ' ' SER . 24.3 m -100.06 106.95 18.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.7 pt -94.89 171.55 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.4 m -117.52 120.68 38.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.475 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 35.0 mt-10 -103.76 168.6 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 94.3 -162.36 24.7 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.276 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 148.4 -149.31 21.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.8 m -96.1 108.89 21.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 0.0 110.333 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.82 137.62 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.288 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 42.8 m -136.42 129.12 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 169' ' ' THR . 54.6 mttm -109.5 134.02 52.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.442 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.2 tp -87.03 105.29 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 47.3 t -104.94 115.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.685 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.5 m -93.21 99.79 12.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.958 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.402 HG23 HD12 ' A' ' 46' ' ' ILE . 40.6 t -89.09 92.87 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.197 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.0 t -110.4 29.0 8.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.403 0.62 . . . . 0.0 109.841 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -150.06 137.04 5.96 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.405 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.5 m -96.52 63.93 2.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.348 0.594 . . . . 0.0 111.145 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.24 165.78 16.86 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.566 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.516 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 27.3 Cg_exo -63.14 109.99 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.774 2.316 . . . . 0.0 112.21 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -118.93 125.37 49.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.61 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 31.9 ttpt -94.56 116.88 29.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.299 0.571 . . . . 0.0 110.365 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.451 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.7 t -105.48 111.76 36.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.15 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . 0.542 HD12 ' HE3' ' A' ' 165' ' ' LYS . 9.0 mp -79.15 113.8 17.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.139 0.495 . . . . 0.0 110.586 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 50' ' ' LEU . 31.2 tp -81.11 100.67 9.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.822 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 52' ' ' LEU . 13.0 t -163.53 -169.95 2.09 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.505 ' HG2' ' OXT' ' A' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.724 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 57.8 Cg_exo -40.61 106.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.607 2.872 . . . . 0.0 113.783 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -85.13 -42.95 14.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.442 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.703 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 87.4 m-85 -76.12 -52.79 2.41 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.375 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.703 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 22.3 Cg_exo -65.5 123.28 11.21 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 0.0 111.434 176.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -172.11 -47.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.568 -173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -11.1 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.106 -170.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.32 -27.3 65.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -67.64 -30.19 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.46 -13.61 56.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.97 0.414 . . . . 0.0 110.705 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.69 26.95 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -80.36 148.69 30.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -101.88 142.15 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 111.202 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -103.6 -6.04 22.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.44 138.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.755 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -179.51 158.76 22.89 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.69 -1.73 22.8 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.952 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -59.46 132.4 51.72 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.208 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.1 t -119.84 120.3 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.7 mt -108.96 123.12 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.97 0.414 . . . . 0.0 110.719 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -113.46 104.87 12.71 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -114.38 140.23 16.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.678 -172.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -115.74 114.8 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 35.6 tp -93.16 115.26 27.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.73 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -159.65 118.5 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.825 172.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 169' ' ' THR . 80.7 mt -99.02 122.17 41.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.297 -174.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -74.51 125.16 27.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.339 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -80.77 171.06 15.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.957 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.73 63.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.284 0.564 . . . . 0.0 110.386 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 p -87.72 -9.28 54.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.588 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 9.15 86.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.153 -176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.598 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -60.64 -47.57 85.63 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.598 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 67.8 mt 77.92 127.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.708 0.63 . . . . 0.0 111.539 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 20.1 mm-40 -120.94 123.19 41.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.951 173.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.597 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 25.0 mmtt -65.7 -78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.733 0.302 . . . . 0.0 111.667 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.07 73.51 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.338 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 115' ' ' GLN . 2.1 p -85.81 104.99 16.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.563 -176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.61 71.38 0.5 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.48 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 135' ' ' LEU . 15.2 m -129.84 150.55 51.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.888 -173.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 133' ' ' SER . 33.1 mttm -79.69 111.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.986 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HB ' ' HB2' ' A' ' 111' ' ' ALA . 89.8 t -105.76 100.01 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 168.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.31 119.17 32.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.482 HD13 HG12 ' A' ' 131' ' ' ILE . 66.2 tp -107.26 111.18 23.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.274 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HB3' HG21 ' A' ' 108' ' ' VAL . 13.7 pt-20 -130.2 146.31 61.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.906 0.384 . . . . 0.0 110.923 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.88 141.43 58.82 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.069 2.513 . . . . 0.0 112.544 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 99.95 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.295 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.0 p -102.82 168.24 9.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 8.4 m -74.17 -30.06 62.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 77.4 t80 -68.24 -41.78 80.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.795 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.585 ' HE1' ' CD1' ' A' ' 79' ' ' TYR . 3.3 tpt -86.6 -7.42 58.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.835 -176.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.39 -41.79 80.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.85 59.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.201 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.585 ' CD1' ' HE1' ' A' ' 76' ' ' MET . 53.5 t80 -69.75 -46.45 65.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -73.8 -9.89 59.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.327 0.584 . . . . 0.0 109.817 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.26 -55.82 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.076 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.2 -101.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.502 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.86 -114.28 6.17 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.987 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.23 96.6 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.526 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 7.9 tt -124.89 106.25 9.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.135 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . 0.509 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 15.6 t70 -67.49 163.0 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.729 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.35 64.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.691 175.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.72 60.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.096 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 51.1 mtpt -102.76 8.86 39.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.0 109.975 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.514 ' HA ' HD21 ' A' ' 86' ' ' LEU . 27.7 tpt180 -69.27 112.27 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.141 -174.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 12.2 t70 -118.3 123.01 29.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 97.5 Cg_endo -93.42 5.07 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.174 2.583 . . . . 0.0 113.778 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -100.6 -39.05 8.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.285 -0.26 . . . . 0.0 110.827 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.39 106.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 0.0 110.537 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 52.8 mt-30 -84.1 139.23 39.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.74 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 19.6 Cg_exo -66.49 114.22 3.0 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 110.657 172.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.72 159.99 26.49 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.859 2.372 . . . . 0.0 112.814 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.43 110.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.033 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.43 HD23 ' HE3' ' A' ' 76' ' ' MET . 0.8 OUTLIER -127.98 -172.66 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.681 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.6 t70 -64.03 129.31 93.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.382 -174.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -79.26 -16.8 12.02 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.893 2.395 . . . . 0.0 113.674 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -67.34 -15.47 63.71 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.546 0.212 . . . . 0.0 111.514 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.1 ptm85 -61.95 -22.9 66.02 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.787 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.27 70.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.008 0.432 . . . . 0.0 110.427 176.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -95.9 -31.23 13.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.919 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -75.21 -41.5 57.57 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 104' ' ' ARG . 52.2 t -74.27 119.16 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.31 124.2 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.983 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.36 124.82 47.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.858 0.361 . . . . 0.0 110.649 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . . . -111.15 109.35 19.37 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.965 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 m -82.5 101.31 10.62 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 119' ' ' PHE . 12.3 p -60.29 128.01 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.748 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -66.9 171.68 5.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 0.0 109.65 174.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.513 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.3 mt-30 -57.18 -18.25 14.72 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.441 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -65.01 -30.97 71.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 111.029 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.77 6.97 75.59 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -100.56 146.32 27.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.775 0.322 . . . . 0.0 110.924 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' PHE . . . . . 0.408 ' HB3' HG23 ' A' ' 113' ' ' THR . 51.7 p90 -140.93 140.94 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.0 147.74 50.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.703 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.539 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 57.3 m-85 -141.15 150.17 42.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 176.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 2.8 p30 -150.09 -177.14 5.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.619 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 63.37 35.94 11.89 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 123.47 0.481 . . . . 0.0 109.81 -174.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.41 119.21 63.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.267 -175.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.62 131.69 26.78 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.14 1.894 . . . . 0.0 110.249 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -63.79 130.06 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.409 0.623 . . . . 0.0 111.364 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 -166.33 39.48 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.912 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.5 p -97.39 125.55 42.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.573 0.225 . . . . 0.0 111.239 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -130.83 148.37 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 111.338 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.416 ' CE1' HD11 ' A' ' 155' ' ' LEU . 44.5 m-85 -101.41 120.63 40.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.003 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.482 HG12 HD13 ' A' ' 69' ' ' LEU . 69.1 mt -95.92 104.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 t -111.52 113.76 26.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.435 -176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 15.1 p -115.81 130.49 56.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -99.54 100.62 11.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.138 0.494 . . . . 0.0 110.118 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 65' ' ' THR . 59.8 tp -140.13 107.66 5.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.854 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.2 t -126.46 137.28 53.38 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.9 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -132.14 170.98 14.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.589 -175.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 p -123.12 125.31 44.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.639 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.06 151.69 30.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.71 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -109.42 117.73 34.78 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.23 0.538 . . . . 0.0 111.571 -173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 144' ' ' LYS . 6.7 t -103.64 -173.99 2.44 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 171.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.73 98.25 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.492 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 81.93 -3.06 81.79 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.743 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 141' ' ' SER . 74.5 mmtt -127.06 108.52 11.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 47.2 m -91.13 102.19 14.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.3 pt -91.76 137.99 20.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.041 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.1 m -107.05 111.96 24.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.971 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 36.8 mt-10 -105.42 177.82 4.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.455 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.35 -136.96 16.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.299 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.68 -125.4 6.0 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.5 m -120.81 105.1 10.4 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.087 0.47 . . . . 0.0 109.77 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.4 p -102.19 128.56 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.051 0.453 . . . . 0.0 110.512 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 32.0 m -119.09 121.22 39.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -109.48 119.73 40.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 130' ' ' TYR . 56.5 tp -80.64 111.67 17.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.208 0.528 . . . . 0.0 110.318 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.9 129.97 63.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.02 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.4 t -107.98 91.83 3.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.769 0.795 . . . . 0.0 110.249 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.24 98.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.1 m -96.71 -12.33 23.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -135.29 163.31 24.89 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.674 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' SER . . . . . 0.455 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.4 m -87.28 15.9 5.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.302 0.572 . . . . 0.0 110.957 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -84.39 156.64 62.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.998 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.13 111.95 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.856 2.371 . . . . 0.0 112.794 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -97.13 106.93 19.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -85.51 118.93 25.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.906 0.384 . . . . 0.0 110.108 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' VAL . . . . . 0.426 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 83.9 t -114.93 114.94 47.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.086 -176.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.34 106.47 18.47 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.486 HD22 HD12 ' A' ' 50' ' ' LEU . 14.3 tp -87.89 92.87 9.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' THR . . . . . 0.504 ' HA ' HD22 ' A' ' 52' ' ' LEU . 5.5 t -141.93 167.95 20.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.9 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ARG . . . . . 0.436 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 6.4 ptm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.828 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -63.88 -54.15 39.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 110.641 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t 63.08 88.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.425 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -87.58 108.95 19.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -139.49 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 112.02 -168.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -112.78 -160.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -72.25 134.83 45.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -73.18 -26.25 61.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.0 109.603 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -143.92 114.93 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.454 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -72.92 116.41 13.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 m -118.52 13.73 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.901 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.05 -124.3 7.3 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.459 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -91.59 -55.64 3.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.115 0.483 . . . . 0.0 110.102 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.48 124.8 1.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.04 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.65 141.35 49.75 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.379 2.053 . . . . 0.0 111.936 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.4 mtm105 65.64 89.17 0.1 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.805 0.691 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.85 -164.65 28.62 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.57 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 m -154.26 -169.87 3.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.438 ' HB2' ' OG ' ' A' ' 22' ' ' SER . 97.5 m-70 -86.29 -91.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.887 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.521 ' C ' ' H ' ' A' ' 22' ' ' SER . 66.2 mtt -138.55 83.55 1.97 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 71.96 -31.4 0.23 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.994 0.809 . . . . 0.0 110.705 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.521 ' H ' ' C ' ' A' ' 20' ' ' MET . 5.3 p -69.78 125.58 27.16 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.135 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.41 HD22 ' CD ' ' A' ' 32' ' ' GLU . 24.8 p-10 -77.66 147.01 74.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.394 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -92.2 21.14 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.805 2.336 . . . . 0.0 113.677 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.619 ' HA ' HG12 ' A' ' 99' ' ' VAL . 97.2 m-20 -63.34 -56.3 17.47 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 t70 62.57 20.53 12.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.733 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 2.1 tt -87.81 -54.37 0.36 Allowed Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.024 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.653 ' HB3' ' HA ' ' A' ' 75' ' ' TYR . 95.0 Cg_endo -84.69 149.27 11.22 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.908 1.739 . . . . 0.0 112.576 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.54 -37.13 32.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 110.358 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -88.13 155.16 52.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.809 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.13 131.12 43.97 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.769 2.313 . . . . 0.0 112.303 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 23' ' ' ASN . 10.1 pt-20 -93.11 18.22 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.418 0.627 . . . . 0.0 110.43 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -49.79 -22.66 1.5 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.604 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -9.79 21.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.443 ' CE1' ' HG2' ' A' ' 104' ' ' ARG . 45.5 m-85 -61.65 -41.59 97.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 0.0 110.53 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.05 21.88 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.49 -32.59 7.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.546 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -80.68 84.87 6.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.977 0.894 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -139.94 118.69 12.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.0 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 125' ' ' PRO . 23.5 tt0 178.42 110.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.02 109.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.381 0.61 . . . . 0.0 109.998 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -111.92 179.52 19.62 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.565 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.68 28.1 3.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.741 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.97 96.31 0.77 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.677 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.04 112.41 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.9 mt -104.06 126.26 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -115.86 99.65 7.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.37 131.28 10.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.97 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -107.51 120.38 42.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.77 123.57 43.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 14.5 p90 -174.74 123.02 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 121.017 0.437 . . . . 0.0 110.886 176.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 169' ' ' THR . 70.6 mt -98.91 126.45 44.59 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 127.63 34.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.454 -178.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.8 t -70.14 161.24 30.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.4 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.347 0.594 . . . . 0.0 110.602 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -10.83 59.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.196 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.64 73.79 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.6 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 131.65 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.401 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.79 109.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 111.605 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.33 108.76 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 25.9 mttt -71.63 -71.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.83 85.8 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.289 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.431 HG23 ' HA ' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -89.7 129.85 36.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -177.276 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 58.78 33.69 23.23 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.691 0.758 . . . . 0.0 109.996 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 m -105.57 134.83 48.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.642 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -89.97 113.26 24.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.042 0.449 . . . . 0.0 111.647 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -89.87 109.89 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.769 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HB3' HG11 ' A' ' 108' ' ' VAL . . . -98.22 118.7 35.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.064 0.459 . . . . 0.0 110.998 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -100.36 100.5 11.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.0 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' HG21 ' A' ' 108' ' ' VAL . 12.9 pt-20 -122.23 150.02 55.98 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.982 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 19.8 Cg_exo -66.18 143.22 70.37 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.94 2.427 . . . . 0.0 113.134 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.92 97.6 10.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.866 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -102.19 170.63 7.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.059 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -60.29 -26.32 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.876 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.653 ' HA ' ' HB3' ' A' ' 28' ' ' PRO . 56.6 t80 -60.93 -35.28 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.374 176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.579 ' HE1' ' CD2' ' A' ' 79' ' ' TYR . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.648 -175.629 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.94 -39.75 90.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.05 -38.24 19.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.985 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.579 ' CD2' ' HE1' ' A' ' 76' ' ' MET . 78.6 t80 -66.9 -47.23 72.42 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.5 -176.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.79 -35.85 81.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.612 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.15 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.244 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -74.22 -58.34 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.813 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -108.28 -84.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.22 -113.16 4.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.416 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.557 ' HA ' ' O ' ' A' ' 151' ' ' THR . 94.0 m-20 -87.03 96.18 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.0 0.429 . . . . 0.0 110.189 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 91' ' ' ARG . 2.9 tt -123.16 120.02 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.269 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.7 147.81 52.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.243 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.508 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -63.89 -18.26 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.32 -13.44 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -133.12 31.48 3.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.224 0.535 . . . . 0.0 110.142 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 8.9 tpt180 -76.0 87.11 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.775 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -81.38 124.37 80.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -95.92 11.54 1.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.329 2.686 . . . . 0.0 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.87 -39.45 5.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.781 0.324 . . . . 0.0 110.953 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.25 111.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.469 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -82.94 128.7 64.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.933 -177.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -75.25 152.36 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.887 2.391 . . . . 0.0 111.652 174.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.7 173.74 12.14 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 111.547 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' A' ' 25' ' ' ASN . 4.0 p -71.43 115.24 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.285 0.564 . . . . 0.0 110.305 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.562 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . 74.2 mt -82.21 149.84 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.773 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.0 t70 -62.53 125.82 86.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 12.8 Cg_exo -70.19 -17.75 35.4 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.051 2.501 . . . . 0.0 112.972 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 -70.94 -26.54 63.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 109.867 -178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.609 ' O ' HG23 ' A' ' 108' ' ' VAL . 54.3 mtp85 -57.18 -37.73 72.56 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 174.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.09 -22.94 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -84.3 -39.21 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.922 0.392 . . . . 0.0 110.426 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -81.63 -21.42 38.26 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 104' ' ' ARG . 57.5 t -68.53 103.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.405 0.622 . . . . 0.0 110.751 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 109' ' ' ARG . 12.3 mtm180 -91.94 121.01 33.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.972 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -101.9 125.03 48.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.934 0.397 . . . . 0.0 111.418 -172.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.27 99.05 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.432 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 m -82.13 112.07 18.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.212 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 p -75.39 112.47 11.74 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.391 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.96 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.217 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.431 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.3 tt0 -135.95 -36.09 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.737 -176.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.91 -18.83 64.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.513 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.32 33.06 81.21 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.25 144.31 42.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -136.46 155.61 49.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.509 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.5 152.81 48.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.025 0.441 . . . . 0.0 110.654 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.429 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 72.6 m-85 -133.09 166.45 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.465 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.19 150.03 26.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.507 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 19.0 m80 61.32 64.9 1.02 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.642 0.589 . . . . 0.0 111.987 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.08 134.23 26.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.016 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.469 ' HB3' ' O ' ' A' ' 40' ' ' GLN . 28.4 Cg_endo -65.24 160.98 39.55 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.774 2.316 . . . . 0.0 112.7 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -81.76 159.28 23.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.319 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.28 -159.3 27.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.883 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -113.46 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.421 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 96.5 m-85 -128.24 162.32 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.558 -175.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.72 124.69 52.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.456 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' A' ' 153' ' ' THR . 58.4 mt -95.72 107.83 20.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.436 ' OG ' ' HB1' ' A' ' 68' ' ' ALA . 15.4 p -98.77 126.72 44.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 p -149.99 120.8 7.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.22 91.34 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.17 116.6 28.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.123 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.3 t -139.76 149.86 44.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.216 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -140.83 133.47 28.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.947 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 t -112.2 104.11 12.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.212 0.529 . . . . 0.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.89 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.52 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 14.6 mt-30 -96.14 131.59 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.417 ' O ' ' HB3' ' A' ' 142' ' ' ASP . 9.1 t -120.46 117.77 28.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 141' ' ' SER . 18.7 t70 72.97 -46.74 0.66 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.859 0.724 . . . . 0.0 110.915 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -179.2 -29.19 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.213 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -93.11 142.43 27.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 110.416 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 2.4 m -83.78 106.92 15.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.167 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.7 pt -95.35 160.01 2.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -123.59 102.51 7.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.35 159.49 14.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.834 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.56 33.43 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.711 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.75 -138.27 7.25 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 40.6 p -89.4 102.08 14.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 117.228 0.514 . . . . 0.0 110.233 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 p -101.39 116.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 121.848 0.833 . . . . 0.0 110.27 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 3.2 m -117.46 122.5 43.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.464 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.684 ' HD2' ' HG ' ' A' ' 168' ' ' LEU . 46.4 tttm -109.07 130.4 55.48 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.818 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.28 106.07 12.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.23 117.66 52.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.854 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.9 t -93.21 127.24 38.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.346 0.593 . . . . 0.0 109.792 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.19 107.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.326 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 34.6 p -122.85 3.52 9.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.165 0.507 . . . . 0.0 110.306 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -99.92 115.91 5.44 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.457 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 23.9 m -82.94 -17.53 43.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.435 0.636 . . . . 0.0 109.906 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.407 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 95.8 mt-30 -95.68 162.71 23.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.407 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 92.5 Cg_exo -43.3 105.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.09 2.527 . . . . 0.0 112.772 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -95.03 103.65 15.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.4 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -78.92 117.65 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.534 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.48 137.84 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.389 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.455 HD13 ' OH ' ' A' ' 51' ' ' TYR . 34.8 mt -111.11 126.33 54.71 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.684 ' HG ' ' HD2' ' A' ' 154' ' ' LYS . 6.0 tt -106.18 98.84 8.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 176.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.504 ' HA ' HD23 ' A' ' 52' ' ' LEU . 1.6 t -136.27 3.47 2.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.121 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.48 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 18.0 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.835 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -165.47 164.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.834 0.349 . . . . 0.0 110.346 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -77.35 85.49 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -89.22 95.84 10.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.896 0.855 . . . . 0.0 109.237 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -87.09 -48.27 8.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.628 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 177.12 147.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -63.62 150.95 42.98 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.145 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -72.76 80.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.479 0.657 . . . . 0.0 111.288 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -136.77 -6.54 1.91 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.819 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -81.08 80.79 7.48 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.514 -0.767 . . . . 0.0 108.983 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -84.86 169.28 14.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.882 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.64 48.21 4.02 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.469 -0.872 . . . . 0.0 110.996 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.99 85.57 6.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.205 0.526 . . . . 0.0 109.888 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.68 65.26 75.91 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -80.1 128.91 7.58 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.926 2.418 . . . . 0.0 112.81 -174.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.04 -12.63 0.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.374 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.54 69.95 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.11 -0.566 . . . . 0.0 111.732 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -83.65 30.21 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.959 0.409 . . . . 0.0 111.655 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -142.2 14.46 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt 63.96 178.46 0.17 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.858 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 102.87 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -71.34 -50.59 30.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -158.4 121.16 2.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.55 -177.91 2.37 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.584 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.19 168.5 19.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.04 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.428 0.632 . . . . 0.0 110.871 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -141.95 153.38 63.99 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.189 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.77 160.67 45.48 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.446 2.098 . . . . 0.0 111.995 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.23 94.61 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.111 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -141.99 129.09 11.36 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.914 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.79 119.29 5.82 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . 1.8 mp0 -72.65 89.24 1.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.265 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -95.45 -30.44 13.87 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.988 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' HB2' HG22 ' A' ' 73' ' ' THR . 3.2 mp0 -61.2 -32.8 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.51 0.195 . . . . 0.0 111.306 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.535 ' HD2' ' HB3' ' A' ' 32' ' ' GLU . 94.0 m-85 -69.06 -13.95 62.74 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.22 -2.57 22.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.135 0.493 . . . . 0.0 110.227 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.26 4.21 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.852 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -73.98 98.47 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.51 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 98.8 mt-30 -137.84 -165.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.322 -176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 49.6 mt-30 79.31 113.41 0.07 Allowed 'General case' 0 CA--C 1.517 -0.321 0 O-C-N 124.101 0.876 . . . . 0.0 110.678 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.39 104.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.913 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -64.03 127.96 36.35 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.789 -0.642 . . . . 0.0 113.558 -170.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.12 -2.34 16.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.723 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.64 153.26 42.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.867 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 45.8 t -124.23 125.69 70.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.351 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.544 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 67.1 mt -101.42 125.54 55.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.431 ' OD1' ' HB3' ' A' ' 163' ' ' PRO . 14.3 m120 -102.77 103.47 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.593 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.545 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.19 129.11 8.87 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.842 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -117.28 119.69 35.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 51.6 tp -96.71 126.2 41.7 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 2.0 p90 -170.85 109.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.914 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.409 ' HG ' HD22 ' A' ' 135' ' ' LEU . 77.3 mt -98.5 134.84 40.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.752 0.311 . . . . 0.0 110.345 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 p -85.62 130.34 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.105 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -86.18 177.57 7.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.248 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.61 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 111.712 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 p -87.25 -5.1 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.856 0.36 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.73 66.76 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.416 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 157.74 27.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 61.4 mt -112.56 112.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.053 0.454 . . . . 0.0 110.922 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.3 104.55 16.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 36.8 mmtt -59.67 -65.15 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.837 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.19 93.1 2.25 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.423 -0.894 . . . . 0.0 111.362 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 115' ' ' GLN . 10.2 m -100.5 128.97 46.4 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 65.38 30.56 10.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.275 0.56 . . . . 0.0 110.798 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -89.12 143.51 26.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.637 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -97.63 119.15 35.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.317 0.579 . . . . 0.0 111.073 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.53 124.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.093 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.92 118.08 35.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.866 0.365 . . . . 0.0 110.528 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.08 109.53 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.113 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.634 ' HG3' ' HB2' ' A' ' 130' ' ' TYR . 8.3 pt-20 -119.42 145.9 39.82 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.635 -178.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.14 124.18 12.63 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.518 2.145 . . . . 0.0 111.849 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' HB1' ' HB ' ' A' ' 128' ' ' THR . . . -66.61 113.88 5.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.181 0.515 . . . . 0.0 109.853 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.407 HG22 ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -128.23 142.21 51.23 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.776 -173.468 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 p -63.91 -23.21 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.45 -26.59 66.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.089 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.884 ' HG3' HH21 ' A' ' 104' ' ' ARG . 91.1 mmm -97.48 2.16 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -64.08 -31.26 72.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.582 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.99 24.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -62.17 -40.52 96.29 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.988 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -55.03 -34.52 63.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.163 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.91 -21.95 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.65 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.79 -38.39 19.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.118 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.15 -94.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.944 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.59 -134.41 44.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.36 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.55 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.1 p30 -81.41 87.37 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 109.999 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.533 HD22 ' O ' ' A' ' 87' ' ' ASP . 10.2 tt -127.09 127.84 45.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.96 -175.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.533 ' O ' HD22 ' A' ' 86' ' ' LEU . 7.0 m-20 -59.41 136.34 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.736 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.437 ' HB3' ' HA2' ' A' ' 150' ' ' GLY . . . -53.02 -34.18 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.27 -12.81 61.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.892 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -101.51 -6.47 23.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.598 0.237 . . . . 0.0 110.577 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -66.98 102.94 1.05 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.503 0.668 . . . . 0.0 110.188 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.49 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 26.1 t0 -92.56 123.09 62.92 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.799 -173.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.52 -24.31 74.44 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.17 2.58 . . . . 0.0 113.033 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.49 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 13.3 t70 -62.66 -34.32 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.224 0.535 . . . . 0.0 110.517 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.2 103.16 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 20.3 pt20 -95.89 139.83 22.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.308 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 15.9 Cg_exo -68.81 124.45 11.48 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.798 2.332 . . . . 0.0 111.631 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.03 151.44 72.23 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 112.241 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 112.56 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.649 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.508 HD11 ' HG3' ' A' ' 104' ' ' ARG . 95.1 mt -85.07 173.36 10.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.505 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 13.2 t70 -75.71 139.24 70.25 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.62 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.44 -29.35 48.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.416 2.744 . . . . 0.0 113.219 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -65.2 -17.74 64.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.564 0.221 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.884 HH21 ' HG3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -56.45 -48.49 76.94 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.108 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.77 64.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.66 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.4 m -85.33 -33.74 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -94.84 -22.76 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.695 HG21 ' O ' ' A' ' 104' ' ' ARG . 59.5 t -76.85 99.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.93 139.73 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.676 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -112.9 121.84 45.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -175.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.11 129.83 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.3 m -90.04 127.31 36.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.4 p -67.27 139.64 57.32 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.185 0.516 . . . . 0.0 111.467 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 12.5 t70 -67.07 173.73 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.414 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.418 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 9.8 tt0 -53.21 -35.73 60.22 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.159 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 65.3 t30 -87.97 11.65 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 72.36 18.6 78.34 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.561 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -90.87 138.52 31.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.34 . . . . 0.0 110.524 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.432 ' HE1' ' HB2' ' A' ' 50' ' ' LEU . 39.1 p90 -144.33 123.88 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.934 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -113.79 136.49 52.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.347 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.544 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 76.1 m-85 -114.87 111.86 21.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.38 168.5 10.17 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 50.5 m80 62.47 56.17 2.13 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 110.632 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.523 HD12 ' HB3' ' A' ' 121' ' ' PHE . 50.1 mm -113.28 110.31 50.85 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.609 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -72.18 157.93 52.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.287 1.991 . . . . 0.0 110.928 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.72 130.66 41.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.153 0.501 . . . . 0.0 111.583 -177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.31 -173.52 42.47 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.138 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.484 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 3.4 m -99.42 141.84 31.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 117.229 0.514 . . . . 0.0 110.18 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.27 150.95 51.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.174 0.511 . . . . 0.0 111.99 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.634 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 28.1 m-85 -107.41 118.26 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.214 171.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.466 HD12 HG13 ' A' ' 166' ' ' VAL . 71.2 mt -95.48 107.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -114.56 121.91 44.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.9 t -145.68 141.2 27.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -104.88 102.7 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.203 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD22 ' HG ' ' A' ' 52' ' ' LEU . 50.6 tp -109.38 115.01 29.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.083 0.468 . . . . 0.0 109.828 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.9 p -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.51 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.7 p90 -139.88 152.47 46.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.535 ' OG ' HG21 ' A' ' 145' ' ' THR . 7.1 t -105.8 123.89 48.68 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.09 142.86 45.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 -173.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -85.59 123.36 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.3 t -140.26 98.23 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.082 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 65.22 41.06 4.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.941 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.24 -20.48 25.86 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.459 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.63 123.76 33.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.535 HG21 ' OG ' ' A' ' 138' ' ' SER . 1.2 m -90.43 101.49 14.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.5 pt -90.55 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.2 m -123.69 121.05 34.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.389 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.51 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 49.3 mt-10 -113.79 163.39 15.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 105.58 -162.11 14.37 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.007 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.437 ' HA2' ' HB3' ' A' ' 88' ' ' ALA . . . 153.86 -159.77 28.94 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.765 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.55 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 21.7 p -88.56 102.56 15.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.53 118.46 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.37 0.605 . . . . 0.0 110.06 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.7 m -103.87 118.9 37.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.46 ' HB2' HD12 ' A' ' 168' ' ' LEU . 30.5 tptt -109.37 119.98 41.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.724 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.47 121.19 27.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 81.6 t -129.69 128.57 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.0 m -107.64 114.19 28.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.57 93.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 110.508 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.8 p -107.23 28.13 8.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 110.693 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -148.98 159.13 27.92 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.616 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 19.3 m -94.66 -26.96 16.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.012 0.435 . . . . 0.0 110.474 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.33 151.01 97.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.187 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.431 ' HB3' ' OD1' ' A' ' 47' ' ' ASN . 68.2 Cg_exo -40.91 118.49 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.938 3.092 . . . . 0.0 113.728 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.02 114.85 26.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.367 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -83.74 117.42 23.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.545 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.2 t -123.05 118.64 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.31 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.75 108.45 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.098 0.475 . . . . 0.0 110.297 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.503 HD22 HD11 ' A' ' 50' ' ' LEU . 26.9 tp -88.5 82.71 6.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.432 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 9.9 t -124.84 -16.56 6.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.198 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.655 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.208 -0.357 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -76.82 -49.18 16.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -147.6 177.04 9.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.312 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -89.27 22.33 2.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.242 0.544 . . . . 0.0 111.23 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.553 ' HB3' ' O ' ' A' ' 8' ' ' HIS . 24.9 m-70 -83.59 86.12 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 171.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.935 0.398 . . . . 0.0 111.893 -173.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -112.06 -48.82 3.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 167.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.553 ' O ' ' HB3' ' A' ' 5' ' ' HIS . 89.6 m-70 -136.0 146.06 46.77 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 166.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -93.5 -58.63 2.23 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.043 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m 57.5 38.83 28.2 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 123.508 0.505 . . . . 0.0 111.682 173.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 t -72.88 85.41 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 109.795 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.21 107.52 2.36 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.764 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.39 -32.29 73.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.341 0.591 . . . . 0.0 109.666 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 9.0 m -97.41 107.74 40.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.774 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 14' ' ' VAL . 16.8 Cg_exo -68.44 -24.56 36.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.815 2.343 . . . . 0.0 112.344 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -159.53 169.56 23.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.939 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.0 90.68 1.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -62.72 -44.65 95.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.641 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.09 118.35 11.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.996 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 mmt -75.96 146.24 39.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.681 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.83 89.94 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.708 0.63 . . . . 0.0 111.18 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.1 p -73.03 -172.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.572 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.479 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 64.1 t30 -65.38 114.3 15.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 23' ' ' ASN . 21.7 Cg_exo -64.75 90.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.367 2.711 . . . . 0.0 114.352 -168.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 51.52 56.53 7.75 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.519 170.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.36 90.91 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.373 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD11 ' HG3' ' A' ' 98' ' ' PRO . 94.1 mt 67.12 93.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.39 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.15 149.17 64.03 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.918 2.412 . . . . 0.0 112.088 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -83.81 77.48 9.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.468 0.651 . . . . 0.0 110.651 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -97.46 165.02 16.42 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.877 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.41 -18.89 61.09 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 112.448 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 69.21 17.86 8.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.873 0.844 . . . . 0.0 109.699 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -91.33 -7.03 52.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.7 mp0 -67.25 -19.97 65.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.153 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.77 -22.56 65.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -88.1 4.57 44.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.44 11.82 24.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.336 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -129.11 18.8 5.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.051 0.453 . . . . 0.0 110.469 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 4.0 pt20 -98.41 23.77 8.09 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.989 -174.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -91.61 -111.75 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.03 149.35 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.94 155.63 24.49 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.507 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.65 16.02 1.24 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.054 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.01 108.99 2.73 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.045 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.46 103.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.907 0.384 . . . . 0.0 110.081 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.521 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.8 mt -93.3 122.77 45.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.931 0.396 . . . . 0.0 110.321 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -104.83 99.7 9.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.18 127.81 9.37 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.508 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.49 112.35 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD12 HD21 ' A' ' 168' ' ' LEU . 30.3 tp -96.04 127.02 41.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.261 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -167.01 121.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.863 171.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 169' ' ' THR . 92.5 mt -104.08 136.4 43.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.53 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p -81.39 111.01 17.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -71.79 164.92 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.397 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.48 67.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 111.423 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -81.21 -10.43 59.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.73 26.54 71.18 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.18 -16.32 38.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.559 0.219 . . . . 0.0 111.303 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt 66.99 111.4 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.572 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.554 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 12.4 mm100 -106.19 117.05 33.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.647 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 29.1 mmtt -70.62 -70.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.061 -176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 95.62 1.46 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.554 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -92.67 113.5 25.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m120 54.67 67.38 1.02 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.462 0.649 . . . . 0.0 110.622 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 112' ' ' THR . 4.3 m -110.58 147.66 33.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.66 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HE3' ' HB3' ' A' ' 110' ' ' GLU . 42.3 tptt -78.13 120.25 22.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.064 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.53 112.32 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.065 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.7 115.66 30.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 HD11 HG12 ' A' ' 131' ' ' ILE . 8.1 tt -108.78 112.27 24.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.913 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.429 ' HB3' HG23 ' A' ' 108' ' ' VAL . 12.8 pt-20 -127.48 155.81 76.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.16 133.21 39.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.043 2.495 . . . . 0.0 113.271 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.493 ' HB2' HG21 ' A' ' 128' ' ' THR . . . -87.11 128.43 35.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.154 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 t -148.08 157.39 43.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.696 -175.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -61.88 -26.4 68.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.442 0.639 . . . . 0.0 110.04 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.427 ' HD2' ' HG3' ' A' ' 76' ' ' MET . 53.9 t80 -57.23 -32.95 67.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.774 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.427 ' HG3' ' HD2' ' A' ' 75' ' ' TYR . 83.7 mtp -107.43 15.87 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.076 -175.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.98 -44.51 91.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.59 81.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.685 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -68.21 -33.14 73.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.214 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.35 -33.66 55.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.81 56.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.425 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -77.98 -53.98 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.407 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.84 -85.51 0.35 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.39 -120.79 10.44 Favored Glycine 0 C--N 1.334 0.425 0 O-C-N 123.675 0.609 . . . . 0.0 112.688 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.513 HD22 ' HG2' ' A' ' 170' ' ' ARG . 32.3 t-20 -81.69 81.25 7.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' HG ' ' HG3' ' A' ' 90' ' ' LYS . 6.1 tt -102.28 116.95 33.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.501 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.33 170.75 15.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.248 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' ' 91' ' ' ARG . . . -71.04 -18.8 62.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.844 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 35.2 pttt -111.17 39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 111.267 -178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.527 ' HG2' ' HA ' ' A' ' 88' ' ' ALA . 15.4 mmt85 -72.66 113.22 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.667 174.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -99.53 113.69 65.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.32 -2.77 8.6 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.639 2.226 . . . . 0.0 112.882 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -102.82 -47.91 4.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.828 0.346 . . . . 0.0 110.23 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.2 87.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 109.762 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.27 151.44 75.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.69 120.92 8.63 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.517 2.144 . . . . 0.0 111.266 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.412 ' HG3' HD11 ' A' ' 27' ' ' LEU . 37.4 Cg_endo -65.59 166.06 21.03 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.791 2.327 . . . . 0.0 112.638 -176.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.78 106.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.8 -172.93 2.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.237 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.455 ' OD2' ' HG3' ' A' ' 104' ' ' ARG . 3.6 t70 -52.62 133.6 45.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.154 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.79 -19.33 12.71 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.974 2.449 . . . . 0.0 112.765 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -72.82 -15.78 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.506 . . . . 0.0 110.325 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.455 ' HG3' ' OD2' ' A' ' 101' ' ' ASP . 39.5 mtp-105 -56.47 -29.26 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.703 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.15 21.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 111.297 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.2 m -115.22 -37.73 4.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -94.65 -14.1 25.22 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.429 HG23 ' HB3' ' A' ' 70' ' ' GLU . 91.0 t -82.3 108.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 109.766 176.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -86.2 112.32 21.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.331 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.442 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 43.5 mt-10 -101.57 116.66 33.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -110.88 175.01 5.59 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.973 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.1 m -142.4 127.48 18.5 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.251 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.407 HG21 HD21 ' A' ' 50' ' ' LEU . 29.3 p -59.55 137.96 57.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.482 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 10.7 p-10 -54.98 -61.89 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.482 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 26.7 tt0 179.71 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.725 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -92.4 11.08 27.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.58 26.08 47.98 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.673 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -109.96 147.19 33.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.409 -0.465 . . . . 0.0 111.319 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -143.56 130.63 20.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.497 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -111.69 128.72 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.62 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.521 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 18.7 m-85 -115.77 142.69 46.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -144.1 157.85 44.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 m80 66.01 34.32 7.09 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.641 0.588 . . . . 0.0 111.751 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.95 126.77 45.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.307 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.11 159.53 38.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.149 2.566 . . . . 0.0 112.215 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.29 137.85 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.35 -144.9 11.33 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.493 HG21 ' HB2' ' A' ' 72' ' ' ALA . 6.5 t -136.29 136.37 39.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -132.85 164.64 26.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.468 ' CE1' HD11 ' A' ' 155' ' ' LEU . 50.0 m-85 -110.02 124.45 51.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.333 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.5 HG12 HD11 ' A' ' 69' ' ' LEU . 63.8 mt -101.08 104.66 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -110.25 125.14 52.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -137.65 132.63 33.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.373 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -96.65 107.15 19.54 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.101 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.592 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 48.9 tp -117.61 93.22 4.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.442 ' HB ' ' CG2' ' A' ' 147' ' ' THR . 45.1 p -110.12 112.97 25.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.554 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 45.4 p90 -115.63 159.16 21.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.5 p -101.62 129.69 47.79 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.895 0.378 . . . . 0.0 111.093 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.85 124.68 43.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.891 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.31 118.52 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 0.0 111.132 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.8 t -107.02 -164.56 1.0 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.66 95.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.363 . . . . 0.0 111.262 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 70.56 -1.76 19.58 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.328 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -136.67 116.47 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.513 -0.404 . . . . 0.0 110.688 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -88.48 114.24 24.9 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.06 0.457 . . . . 0.0 109.877 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.8 pt -93.79 147.94 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -176.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.442 ' CG2' ' HB ' ' A' ' 136' ' ' THR . 40.5 m -98.11 104.27 16.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.932 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.539 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 39.5 mt-10 -86.7 175.64 8.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.602 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.592 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 88.65 -98.21 2.4 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.084 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.98 -157.38 25.08 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.829 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.8 m -96.15 102.61 14.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.987 0.422 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.44 HG22 HD22 ' A' ' 85' ' ' ASN . 7.3 p -95.92 125.83 48.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.206 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 61.6 m -117.35 121.81 42.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.077 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -110.29 126.42 54.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.722 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.468 HD11 ' CE1' ' A' ' 130' ' ' TYR . 50.6 tp -85.43 109.26 18.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.044 0.45 . . . . 0.0 110.3 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.6 t -114.0 125.22 71.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 27.9 m -108.31 101.09 10.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 178.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.35 98.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.4 m -99.0 17.58 19.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.689 -171.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -178.93 -168.74 38.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 20.0 m -106.95 17.29 23.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.309 0.575 . . . . 0.0 110.167 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -79.39 153.33 76.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.491 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.47 103.38 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.464 2.11 . . . . 0.0 110.852 173.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.98 113.72 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -175.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.22 112.94 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.92 120.17 58.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.554 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.02 122.08 28.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.48 HD21 HD12 ' A' ' 50' ' ' LEU . 35.5 tp -88.03 100.7 13.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.472 0.653 . . . . 0.0 109.923 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.406 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -165.07 174.85 9.96 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.611 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.513 ' HG2' HD22 ' A' ' 85' ' ' ASN . 89.7 mtt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.991 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -154.26 150.7 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.762 -0.258 . . . . 0.0 110.583 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m 68.3 -63.26 0.34 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.474 0.71 . . . . 0.0 111.782 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -85.12 130.67 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.233 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -161.67 148.1 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 -172.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -144.05 51.13 1.31 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -72.64 74.36 1.08 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.555 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -143.5 15.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.731 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -99.66 -19.66 16.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.195 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 m -82.97 80.1 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.447 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m 65.0 98.83 0.04 OUTLIER 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.83 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.02 -175.34 50.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.756 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.22 82.65 5.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t 64.34 92.53 0.06 OUTLIER Pre-proline 0 C--O 1.234 0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.649 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.99 132.01 42.43 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.683 2.255 . . . . 0.0 111.552 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -64.39 108.26 1.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.332 0.587 . . . . 0.0 110.681 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.36 -27.27 1.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -87.37 140.53 29.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -139.8 99.98 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.828 0.347 . . . . 0.0 110.359 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -90.31 151.71 21.36 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.6 111.61 0.36 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.965 0.791 . . . . 0.0 112.061 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 p -86.04 -12.11 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.858 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -105.53 108.49 61.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.307 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.28 128.88 9.98 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.223 1.949 . . . . 0.0 111.477 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.69 151.42 19.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -125.89 -155.84 0.7 Allowed 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt 54.28 96.34 0.04 OUTLIER Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.391 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -85.21 120.97 2.26 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.781 2.321 . . . . 0.0 112.466 175.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -79.62 -41.05 27.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 95.0 m-85 -64.15 -54.07 42.52 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.425 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 97.6 Cg_endo -78.99 13.2 2.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.8 1.667 . . . . 0.0 113.699 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.17 63.34 4.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 111.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -96.36 1.46 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.561 165.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.23 -49.03 60.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.435 -166.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -61.76 -36.44 81.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.117 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.77 64.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.296 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.97 10.05 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 111.248 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.4 m -93.6 116.12 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.23 162.87 15.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.353 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -97.35 -14.43 21.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.549 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.34 112.5 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.571 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.45 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -164.12 169.43 38.98 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.388 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.62 13.86 4.49 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.33 123.1 10.06 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.923 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.31 111.2 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.489 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 62.9 mt -101.93 116.28 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -103.01 99.09 8.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -107.54 129.05 9.47 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.528 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.5 117.99 35.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.5 tp -92.14 129.23 38.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.459 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 38.1 p90 -170.65 114.53 0.45 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.893 172.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.496 HD12 HD21 ' A' ' 135' ' ' LEU . 65.4 mt -102.18 128.18 48.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.566 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.457 HG22 HG12 ' A' ' 59' ' ' ILE . 10.9 p -82.47 100.25 9.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.532 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -65.05 162.89 15.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.704 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.59 64.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.593 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.59 -20.15 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.88 20.72 72.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.616 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.02 36.97 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.853 -0.204 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.459 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 60.1 mt 66.82 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.483 0.658 . . . . 0.0 111.735 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -93.68 123.16 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.433 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.472 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 6.1 mmtt -85.59 -18.25 33.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.675 -168.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.42 84.63 0.61 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.188 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -94.23 114.09 26.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.7 0.286 . . . . 0.0 110.658 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' A' ' 113' ' ' THR . 26.1 t-20 58.78 75.92 0.37 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.68 0.752 . . . . 0.0 109.855 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -130.42 144.59 51.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.099 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -85.24 121.74 28.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 111.52 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.06 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.19 146.63 25.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.857 0.361 . . . . 0.0 110.81 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 tt -126.74 122.42 34.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.482 ' HB3' HG21 ' A' ' 108' ' ' VAL . 8.6 pt-20 -134.97 150.95 74.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.7 Cg_exo -73.79 147.15 39.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.218 2.612 . . . . 0.0 113.237 -177.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.79 100.25 1.87 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.589 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -112.0 136.31 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.509 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.2 t -62.72 -23.89 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.197 0.522 . . . . 0.0 110.397 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -60.47 -27.62 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.989 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.3 mtp -108.42 11.81 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.97 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.081 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.91 61.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.952 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -77.06 -42.0 40.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.761 ' HE2' HG23 ' A' ' 153' ' ' THR . 7.1 m-85 -77.37 -10.41 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.205 -177.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.76 76.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.539 0.685 . . . . 0.0 109.277 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -84.92 -61.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.267 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 8.96 43.26 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.441 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.95 2.65 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.876 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.98 79.76 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.816 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 8.4 tt -102.22 107.94 19.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.411 0.624 . . . . 0.0 110.815 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.22 155.02 39.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.38 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.1 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.712 0.291 . . . . 0.0 111.054 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.26 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.816 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 49.0 pttt -115.73 29.35 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.504 ' HA ' HD22 ' A' ' 86' ' ' LEU . 4.0 mmm180 -71.79 105.12 3.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.858 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.46 113.92 60.11 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.044 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.24 -3.99 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.872 2.382 . . . . 0.0 112.918 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -102.65 -48.93 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.663 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.74 114.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -92.98 143.37 26.71 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.644 177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 42.3 Cg_exo -57.76 134.0 59.95 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.792 2.328 . . . . 0.0 112.014 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 19.9 Cg_exo -66.0 161.74 38.39 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.32 100.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.376 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.34 170.29 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.72 130.45 92.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.56 -19.53 52.84 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.419 2.746 . . . . 0.0 113.827 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -59.05 -28.62 66.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.639 0.257 . . . . 0.0 111.676 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 108' ' ' VAL . 10.0 ptm85 -65.67 -23.66 66.84 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.023 -177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.17 64.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 0.0 110.487 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -94.13 -27.75 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.726 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -93.07 -36.8 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.482 HG21 ' HB3' ' A' ' 70' ' ' GLU . 58.0 t -73.97 101.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.346 0.593 . . . . 0.0 110.188 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.431 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -90.2 124.56 34.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.597 -178.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.74 128.91 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.348 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.11 137.86 48.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -102.48 111.67 24.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.717 0.294 . . . . 0.0 110.693 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.5 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 39.4 p -71.74 151.0 43.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.238 177.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.35 -148.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -51.56 -35.31 40.45 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.385 0.428 . . . . 0.0 112.073 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -65.54 -25.08 67.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.293 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.472 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 58.39 39.2 92.5 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.49 147.64 45.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.427 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 46.4 p90 -137.04 150.78 48.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 110.419 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.92 129.51 32.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.291 0.567 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.489 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 63.5 m-85 -116.5 150.0 38.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.149 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.41 174.47 14.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.45 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 71.2 m-70 59.81 42.11 17.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.554 0.692 . . . . 0.0 110.603 -174.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 121' ' ' PHE . 57.2 mt -110.19 121.64 41.06 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.951 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 18.0 Cg_endo -61.97 146.56 96.26 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.369 2.046 . . . . 0.0 111.61 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.77 116.88 4.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.823 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.73 -177.84 48.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.937 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 65.4 m -101.61 126.19 48.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 81.5 m-85 -130.4 165.98 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.987 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -114.3 135.82 53.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.896 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.564 ' O ' ' HA ' ' A' ' 153' ' ' THR . 51.9 mt -98.88 110.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -107.77 116.73 32.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.179 0.514 . . . . 0.0 110.847 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.1 t -136.96 132.65 34.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.83 92.69 5.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.651 0.738 . . . . 0.0 110.594 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 52' ' ' LEU . 55.8 tp -114.42 108.17 16.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.93 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -125.95 151.27 47.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.434 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.468 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 37.7 p90 -146.08 152.96 40.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 13.0 p -102.69 108.6 19.92 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.88 133.83 54.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.502 ' HG2' ' OG1' ' A' ' 145' ' ' THR . 87.1 mt-30 -81.44 104.89 12.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -95.93 113.3 24.91 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 65.04 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.83 0.706 . . . . 0.0 110.947 -176.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.76 4.16 2.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.444 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -121.02 123.56 42.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.013 0.435 . . . . 0.0 110.966 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.502 ' OG1' ' HG2' ' A' ' 140' ' ' GLN . 24.9 m -76.9 108.42 9.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.131 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 pt -105.99 157.52 6.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.691 0.281 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.5 m -105.55 113.17 26.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.468 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 38.8 mt-10 -109.94 177.06 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.155 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 98.23 -136.94 12.99 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.175 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.95 -145.94 17.61 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.596 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.4 m -109.17 102.79 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.165 0.507 . . . . 0.0 109.666 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.35 130.01 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.761 HG23 ' HE2' ' A' ' 80' ' ' TYR . 8.1 m -120.28 120.15 35.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.69 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -110.39 143.15 41.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -91.1 104.25 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.186 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.47 106.38 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.317 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 5.0 t -99.09 96.32 7.71 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.828 0.823 . . . . 0.0 110.347 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.08 86.35 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.931 -177.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -91.89 19.12 6.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.637 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -164.56 148.24 14.04 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.045 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 29.5 m -84.82 59.37 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.852 0.834 . . . . 0.0 109.946 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.27 162.35 28.55 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.864 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.89 102.29 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.281 1.987 . . . . 0.0 110.469 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.97 117.43 30.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.343 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.66 111.49 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.025 0.44 . . . . 0.0 109.946 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.505 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.7 t -119.31 107.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.385 -177.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.32 111.03 12.55 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 32.0 tp -79.75 87.9 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.774 0.797 . . . . 0.0 109.809 -178.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 13.0 t -157.48 178.77 9.92 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.007 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.249 -176.512 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -93.63 -6.39 46.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.679 0.276 . . . . 0.0 110.678 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -59.16 102.01 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.997 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -91.7 -20.95 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.801 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.73 60.67 2.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.344 0.592 . . . . 0.0 109.45 171.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -158.72 64.12 0.42 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -114.09 90.37 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.984 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -99.21 135.45 40.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.878 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -75.22 178.36 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 m -58.35 137.88 56.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.682 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.0 p -73.67 91.09 1.85 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.244 0.545 . . . . 0.0 110.397 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.0 -151.32 10.04 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.097 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -106.31 111.75 24.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.784 0.326 . . . . 0.0 110.249 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 m -116.84 98.49 51.97 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.178 0.513 . . . . 0.0 111.285 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.422 ' HB2' ' O ' ' A' ' 18' ' ' SER . 22.5 Cg_exo -65.58 130.96 26.33 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.507 2.138 . . . . 0.0 110.999 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.5 mpt_? -73.33 132.58 43.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.322 -174.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.38 -70.11 1.72 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 15' ' ' PRO . 17.2 t -166.51 -174.04 2.69 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -84.84 -161.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.212 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.2 -34.89 70.86 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.043 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.63 -63.42 0.33 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.892 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -165.16 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.1 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.457 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 7.2 p30 -147.83 123.53 5.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 3.0 Cg_exo -75.99 86.59 1.5 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.849 2.366 . . . . 0.0 112.455 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 8.9 t30 -89.24 -25.32 21.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.77 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.94 68.26 3.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.705 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.55 81.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.473 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 24' ' ' PRO . 90.0 Cg_endo -85.05 177.08 5.53 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.608 2.205 . . . . 0.0 111.534 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.601 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 36.4 t70 -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 36.7 m-85 109.17 -30.72 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.251 1.42 . . . . 0.0 114.795 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 20.0 Cg_exo -67.73 9.22 0.36 Allowed 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 121.843 1.694 . . . . 0.0 113.435 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -82.29 3.66 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -53.22 -37.13 61.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.255 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.56 -29.17 63.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.194 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -66.01 -26.8 67.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.289 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.44 5.07 51.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.791 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.2 18.98 10.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.025 0.44 . . . . 0.0 111.199 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -96.58 91.28 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.534 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -121.7 -167.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.992 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.544 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 44.6 mt-30 82.06 113.9 0.06 Allowed 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.861 0.864 . . . . 0.0 111.918 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -87.36 103.29 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.35 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.53 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -91.27 170.66 34.45 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.406 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 24.33 13.08 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.545 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.79 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -64.93 113.31 5.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.742 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.81 98.77 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.23 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 49.4 mt -99.52 93.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.012 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.476 ' H ' HD21 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -102.79 140.96 36.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.23 157.04 27.03 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.503 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.04 119.14 34.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.624 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 27.2 tp -94.59 129.01 41.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.592 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 34.1 p90 -169.84 130.6 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD11 HD22 ' A' ' 135' ' ' LEU . 96.4 mt -118.47 141.23 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.007 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 p -89.8 134.47 34.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.477 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 91.1 p -88.22 -179.19 6.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.751 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -28.48 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -77.69 -30.21 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.942 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.56 30.96 3.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.853 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.23 140.18 32.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.17 108.91 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.176 0.512 . . . . 0.0 110.594 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 14.3 mm100 -89.47 106.36 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.779 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 14.8 mmtt -76.98 -12.05 59.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.094 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.93 83.9 0.37 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.277 -0.963 . . . . 0.0 111.515 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -83.56 105.16 14.26 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.553 ' HA ' ' O ' ' A' ' 113' ' ' THR . 15.0 t-20 59.11 72.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.524 0.678 . . . . 0.0 109.823 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.6 m -128.61 138.52 52.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.533 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -74.97 111.89 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.015 0.436 . . . . 0.0 111.86 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.72 116.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.484 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.38 134.23 47.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.733 0.301 . . . . 0.0 111.157 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -115.68 118.75 33.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.16 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.459 ' HB3' HG23 ' A' ' 108' ' ' VAL . 12.9 pt-20 -126.41 151.5 72.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 8.3 Cg_exo -72.61 146.96 44.72 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.373 2.715 . . . . 0.0 113.112 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.78 109.33 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -123.19 155.61 36.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.523 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.494 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 57.3 p -77.69 -9.54 59.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.289 0.566 . . . . 0.0 110.354 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 31' ' ' PRO . 61.5 t80 -67.92 -35.81 79.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.7 mtp -91.61 17.35 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.343 -173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 74' ' ' SER . 49.8 mtmt -58.2 -43.47 87.64 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.638 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -69.6 -44.22 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.95 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.8 -39.09 83.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.703 ' HE1' HG21 ' A' ' 153' ' ' THR . 52.2 t80 -74.89 -23.72 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.53 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.638 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 73.8 mmtt -68.84 -56.32 8.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -122.05 -84.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.316 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.22 -128.62 42.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.188 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.528 ' HA ' ' O ' ' A' ' 151' ' ' THR . 41.0 t-20 -82.46 103.21 11.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 91' ' ' ARG . 3.5 tt -138.38 127.15 23.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -170.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.456 ' CB ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 t70 -57.7 146.7 30.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.824 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.521 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.15 -24.21 67.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.67 0.271 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.05 -22.64 60.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.306 0.575 . . . . 0.0 110.506 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HE2' ' CB ' ' A' ' 87' ' ' ASP . 41.0 mtmt -100.37 7.81 44.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.699 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.521 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -73.69 107.41 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.207 -178.444 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -98.73 110.08 55.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.477 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -88.39 8.38 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.718 2.279 . . . . 0.0 112.9 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -91.71 -43.88 9.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.0 118.22 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.815 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.78 126.76 56.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.345 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.56 128.37 28.06 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 111.477 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -56.55 138.96 86.57 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.692 2.261 . . . . 0.0 112.149 -178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.33 112.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.328 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 75' ' ' TYR . 56.7 mt -85.25 176.56 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.04 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 15.9 t70 -57.17 124.37 65.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.17 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 39.7 Cg_exo -58.07 -16.94 29.21 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.524 2.816 . . . . 0.0 114.314 -171.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -65.0 -20.07 66.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.0 ptm85 -63.54 -26.01 68.51 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.599 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.58 -16.32 64.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.965 0.412 . . . . 0.0 110.983 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -97.11 -34.79 11.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.77 -35.53 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.715 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 104' ' ' ARG . 86.0 t -71.17 118.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 109' ' ' ARG . 22.9 mtp180 -99.99 141.48 32.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.499 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -101.92 147.7 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.43 102.59 4.66 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.293 170.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 m -82.29 109.76 16.85 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.553 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 26.7 p -55.16 140.52 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.53 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -76.63 -171.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -74.32 -3.37 29.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.271 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.99 7.31 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.756 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.516 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 61.36 48.06 87.33 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.08 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 119' ' ' PHE . 3.6 tmt_? -136.96 144.12 43.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.464 ' N ' ' HD3' ' A' ' 118' ' ' ARG . 49.2 p90 -142.87 156.63 44.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.475 ' HA ' ' HA ' ' A' ' 47' ' ' ASN . 4.9 p-10 -145.85 140.92 27.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.278 0.561 . . . . 0.0 110.753 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.493 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 95.7 m-85 -113.26 158.28 20.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.299 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.72 171.46 20.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.53 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.5 m170 62.5 45.51 6.28 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.528 . . . . 0.0 110.758 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.447 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 69.4 mt -129.13 138.25 32.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.229 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.544 ' HG3' ' O ' ' A' ' 40' ' ' GLN . 7.0 Cg_exo -72.57 -176.75 2.41 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.779 2.319 . . . . 0.0 112.441 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.78 155.83 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.01 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.75 -158.61 26.23 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.583 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 m -104.65 124.62 49.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.2 161.74 33.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -116.74 134.04 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' A' ' 153' ' ' THR . 38.2 mt -100.39 113.69 36.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.9 m -111.2 114.43 27.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.693 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.3 m -131.41 129.24 41.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -93.62 100.33 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.277 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.417 HD22 HD11 ' A' ' 52' ' ' LEU . 46.9 tp -116.53 90.63 3.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.476 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 45.2 p -115.47 138.8 50.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.024 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.496 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.4 p90 -141.53 150.48 42.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.986 0.422 . . . . 0.0 110.208 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.3 m -107.7 120.09 41.26 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 51.1 mt-30 -81.73 99.75 9.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.162 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 103.58 16.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 65.49 -77.68 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.938 0.774 . . . . 0.0 111.419 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -140.68 5.37 2.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.415 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -123.95 120.35 32.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.761 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 15.5 m -79.24 128.48 33.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.492 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 26.6 pt -119.39 141.58 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.177 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.2 m -94.38 104.23 16.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.496 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 40.4 mt-10 -101.38 165.47 11.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.547 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.31 -152.38 21.56 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.258 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 151.93 -155.35 26.09 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.199 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 10.7 m -96.94 105.31 17.43 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.07 121.1 45.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.768 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.703 HG21 ' HE1' ' A' ' 80' ' ' TYR . 13.9 m -109.74 119.79 40.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.81 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -110.67 130.03 55.67 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.99 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.7 tp -80.36 116.47 20.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 94.2 t -116.89 124.57 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.282 0.563 . . . . 0.0 111.2 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.3 t -105.59 121.83 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.954 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.28 104.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.8 t -70.21 -27.84 64.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.1 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.84 -158.35 31.13 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.338 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.79 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.5 p -73.88 -24.0 59.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.531 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.99 146.14 88.11 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.36 117.24 3.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.541 2.827 . . . . 0.0 113.639 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -103.67 110.71 22.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.6 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 63.1 tttp -96.06 116.86 29.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 0.0 110.061 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.97 116.04 48.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.654 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.32 112.84 16.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.47 HD23 HD13 ' A' ' 50' ' ' LEU . 28.3 tp -81.39 93.49 6.61 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.622 0.725 . . . . 0.0 109.991 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 12.1 t -159.19 179.0 9.4 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.545 -1.207 . . . . 0.0 107.859 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 14.5 tpt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.139 -177.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -60.04 103.62 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.588 0.232 . . . . 0.0 111.323 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p 61.02 159.33 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.781 1.232 . . . . 0.0 112.595 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -97.82 95.52 7.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -110.28 115.17 29.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.527 0.679 . . . . 0.0 112.108 -170.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.07 114.91 16.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -68.6 -30.26 68.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.145 -171.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -139.74 172.67 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.794 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -73.79 92.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.858 ' HA ' HD11 ' A' ' 13' ' ' LEU . 50.2 m -149.57 174.38 12.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.716 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 p 53.14 28.29 6.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.409 0.684 . . . . 0.0 111.93 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 39.69 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.858 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.6 mp -89.63 66.9 7.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t 65.43 97.03 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.725 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.62 -20.55 46.87 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.791 2.327 . . . . 0.0 113.043 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -136.09 117.53 14.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.786 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.1 -68.09 0.22 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.418 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m -66.1 134.51 52.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.66 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -81.06 57.89 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.55 -21.08 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.442 . . . . 0.0 110.436 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 26.52 9.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.603 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.4 m -133.32 95.49 3.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.164 0.506 . . . . 0.0 110.438 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.49 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 p-10 -166.56 166.12 9.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.795 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.49 ' HD2' ' HB2' ' A' ' 23' ' ' ASN . 19.5 Cg_endo -60.52 99.12 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 121.969 1.779 . . . . 0.0 110.662 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -104.42 80.24 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.748 -171.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.558 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.1 m-20 67.07 -58.17 0.41 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 168.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 6.3 mp 76.57 144.21 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 124.177 0.991 . . . . 0.0 108.439 -160.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.428 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 9.8 Cg_endo -51.5 144.07 33.57 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.566 . . . . 0.0 112.356 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.6 84.9 0.87 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.428 ' CD2' ' HB2' ' A' ' 28' ' ' PRO . 85.2 m-85 -133.06 91.96 26.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.434 173.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.433 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 29.5 Cg_endo -65.27 166.28 19.62 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.383 2.056 . . . . 0.0 110.805 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 66.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.433 ' CD2' ' HG2' ' A' ' 31' ' ' PRO . 37.2 m-70 -95.78 -10.37 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.818 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -96.16 -30.11 13.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.551 -163.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.643 ' HH ' ' HG2' ' A' ' 76' ' ' MET . 54.7 m-85 -91.27 -48.58 6.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.157 -0.34 . . . . 0.0 110.974 -174.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.88 57.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.54 10.42 38.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 p -75.56 158.87 31.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.883 HE21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -100.45 154.43 18.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.62 16.83 19.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.115 0.484 . . . . 0.0 110.679 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.1 107.39 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.85 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.41 128.16 1.87 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.971 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.31 16.89 3.37 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.143 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -74.57 143.52 31.58 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.818 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.73 115.74 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.869 0.366 . . . . 0.0 110.255 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.534 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 70.5 mt -106.46 119.57 56.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 11.7 t-20 -121.59 118.96 30.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.508 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -132.5 149.57 19.51 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.983 -171.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.36 120.94 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.807 -0.697 . . . . 0.0 109.163 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 26.0 tp -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.48 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 26.2 p90 -164.51 125.2 2.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.285 0.564 . . . . 0.0 110.38 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -108.46 135.66 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.303 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.27 114.99 20.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.854 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.78 ' HG ' ' HZ2' ' A' ' 137' ' ' TRP . 1.2 m -65.0 155.8 33.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.93 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.34 68.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.25 -1.75 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.9 35.72 85.21 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 121.367 -0.444 . . . . 0.0 113.482 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -87.27 -38.99 15.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.689 -0.301 . . . . 0.0 111.146 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.486 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 85.0 mt 69.8 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.749 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -131.26 133.58 45.58 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.707 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 32.7 mmtp -66.05 -70.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.75 102.71 1.66 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.399 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.6 p -115.61 142.44 46.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t30 64.53 21.86 12.54 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.093 0.949 . . . . 0.0 109.407 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.3 m -92.84 132.88 36.61 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.311 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -83.8 114.87 21.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.183 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.49 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 87.0 t -100.95 118.53 47.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.781 174.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.16 128.37 51.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.978 0.418 . . . . 0.0 110.633 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 tp -107.48 97.37 7.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.932 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -102.82 136.58 19.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 -178.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.416 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 39.3 Cg_endo -68.65 142.35 52.87 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.269 1.979 . . . . 0.0 111.697 177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.82 101.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.089 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 p -122.86 152.69 40.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.201 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 m -72.09 -27.95 62.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.98 -34.92 71.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.984 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.643 ' HG2' ' HH ' ' A' ' 35' ' ' TYR . 91.3 mmm -84.53 -11.15 56.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.03 -36.46 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.26 61.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.021 0.438 . . . . 0.0 111.419 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -74.8 -27.27 60.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.057 0.456 . . . . 0.0 110.01 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -65.41 -30.19 70.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.43 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.75 -27.65 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.714 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 16.2 mtpp -75.32 -38.55 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.67 -79.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.858 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.94 -121.64 27.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.403 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.652 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.4 p30 -92.99 92.92 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.781 0.8 . . . . 0.0 109.645 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.629 HD21 ' O ' ' A' ' 87' ' ' ASP . 8.3 tt -123.22 121.18 35.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.528 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.629 ' O ' HD21 ' A' ' 86' ' ' LEU . 8.1 m-20 -58.96 141.58 53.36 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.897 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.41 -27.59 37.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 -9.32 59.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.853 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 58.1 mttp -100.02 -4.95 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.271 . . . . 0.0 110.526 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -69.13 114.5 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.506 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 27.7 t70 -112.79 124.43 31.77 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.7 Cg_exo -76.83 -5.46 15.97 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.97 2.447 . . . . 0.0 113.446 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.506 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 26.8 t70 -88.26 -31.13 19.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.438 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.467 HG13 ' NZ ' ' A' ' 82' ' ' LYS . 16.9 t -77.2 75.9 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 109.644 175.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 47.8 mt-30 -55.41 135.8 69.84 Favored Pre-proline 0 C--O 1.236 0.361 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.798 -173.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.714 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 55.6 Cg_endo -94.95 126.66 0.41 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.7 2.933 . . . . 0.0 111.968 171.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -73.79 151.11 45.55 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 111.792 178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.63 126.73 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.056 0.455 . . . . 0.0 109.877 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.9 mt -104.48 179.47 4.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.48 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 7.7 t70 -52.0 136.75 37.41 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.243 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.57 -25.34 6.73 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.041 2.494 . . . . 0.0 113.72 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -70.22 -21.82 62.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.992 0.425 . . . . 0.0 110.803 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.497 ' O ' HG22 ' A' ' 108' ' ' VAL . 23.0 mtp-105 -47.93 -46.25 31.89 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.16 -5.58 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.754 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -92.61 -35.56 13.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 0.0 110.069 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -88.7 -33.57 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.007 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 104' ' ' ARG . 58.3 t -76.92 107.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.726 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -73.82 130.6 40.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.13 113.17 26.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -115.19 127.44 55.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.708 0.29 . . . . 0.0 110.878 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.5 m -86.87 121.3 29.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.195 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.8 p -68.25 141.24 55.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 111.449 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.53 -167.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.77 0.795 . . . . 0.0 111.106 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.37 -27.75 63.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.948 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -89.77 3.87 51.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.707 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.01 52.01 9.57 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.685 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.522 HH11 ' HB2' ' A' ' 118' ' ' ARG . 0.5 OUTLIER -130.53 147.84 52.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.508 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 38.6 p90 -129.08 139.19 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.082 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.48 126.2 54.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.495 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 17.8 m-85 -125.96 138.59 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 0.0 111.406 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -139.08 165.92 25.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.686 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.26 37.26 23.73 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.419 0.45 . . . . 0.0 111.722 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.477 HG23 HG22 ' A' ' 158' ' ' VAL . 45.9 mm -84.98 121.84 74.22 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.164 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 124' ' ' ILE . 13.9 Cg_exo -70.08 168.97 20.45 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.881 2.387 . . . . 0.0 112.112 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -79.2 116.97 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.65 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.57 -170.98 39.92 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 11.9 t -113.84 138.71 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.049 0.452 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 45.0 m-85 -132.87 164.06 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 -173.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -113.17 126.2 55.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.852 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 153' ' ' THR . 57.2 mt -94.14 104.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.1 p -108.2 130.09 55.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.117 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.49 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 4.7 p -151.59 146.49 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.659 0.266 . . . . 0.0 111.368 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.459 ' HG2' HG21 ' A' ' 151' ' ' THR . 46.5 mt-10 -102.02 103.85 14.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.557 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.506 ' HG ' ' HZ3' ' A' ' 137' ' ' TRP . 37.8 tp -120.13 111.03 17.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.9 p -141.04 130.68 24.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -174.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.78 ' HZ2' ' HG ' ' A' ' 54' ' ' SER . 44.5 p90 -139.99 151.56 45.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 p -94.54 128.66 41.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.025 0.44 . . . . 0.0 111.143 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.92 159.56 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -107.93 113.74 27.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.672 0.272 . . . . 0.0 110.427 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.1 t -87.62 -76.05 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.281 0.562 . . . . 0.0 110.443 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.17 63.84 1.41 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.088 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 76.48 -8.37 27.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.595 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -105.87 130.13 53.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 19.9 m -84.09 111.44 19.32 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.0 pt -98.97 153.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.281 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 13.6 m -99.32 99.9 10.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.45 108.52 15.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.043 -178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 133.15 -164.35 24.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.35 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.66 -157.98 29.18 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.652 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.7 p -91.0 112.45 24.36 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.15 132.91 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 6.8 p -120.44 116.4 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.741 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -109.67 121.36 45.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.964 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 66.3 tp -80.27 112.92 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.026 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.6 t -121.11 123.98 71.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 25.0 m -107.59 119.54 39.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.214 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 124' ' ' ILE . 42.7 t -97.25 123.12 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 4.07 50.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.519 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 159.92 -149.83 19.67 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.016 -1.087 . . . . 0.0 113.012 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.49 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.2 m -91.64 9.68 31.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.081 0.467 . . . . 0.0 110.999 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.464 ' HA ' ' HD3' ' A' ' 163' ' ' PRO . 2.3 mp0 -78.82 138.01 57.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.278 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 162' ' ' GLN . 21.0 Cg_exo -64.93 124.23 12.79 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.705 2.27 . . . . 0.0 112.039 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.6 120.18 37.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.106 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 82.4 tttt -92.46 120.44 32.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.95 130.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.825 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.3 111.9 20.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.525 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 22.2 tp -82.14 90.08 6.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.99 0.9 . . . . 0.0 110.051 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 -178.09 5.99 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.432 ' HD2' ' OXT' ' A' ' 170' ' ' ARG . 6.0 ppt_? . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.91 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -168.62 104.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t -96.0 -71.22 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.1 m80 53.56 41.74 32.04 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -49.71 -37.93 31.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.865 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -106.62 95.01 5.44 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -65.44 130.91 45.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.031 -172.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -103.43 0.44 31.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.292 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -80.54 94.89 6.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -92.02 -12.67 32.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.619 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 t -150.96 162.68 40.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.28 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.32 23.79 32.12 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.927 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt 71.22 -66.53 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.633 0.773 . . . . 0.0 111.361 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t 62.78 92.59 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 CA-C-O 121.251 0.548 . . . . 0.0 110.829 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.56 -7.6 21.13 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.264 2.643 . . . . 0.0 112.943 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -136.5 108.46 7.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 0.0 110.586 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.31 136.78 16.67 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.129 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.5 t -89.33 141.63 28.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -77.02 104.31 7.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -90.1 151.97 21.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.37 32.28 2.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.512 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m 71.29 149.14 0.09 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.501 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -133.19 115.21 13.92 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.073 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.08 118.94 5.86 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.578 2.185 . . . . 0.0 112.264 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -90.65 165.51 13.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.124 0.488 . . . . 0.0 110.528 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -129.79 -43.96 1.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.3 0.571 . . . . 0.0 109.979 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -97.59 125.4 45.03 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.719 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.03 144.15 21.04 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.541 2.16 . . . . 0.0 112.288 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -82.39 93.53 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.511 ' HB3' ' HD1' ' A' ' 75' ' ' TYR . 64.4 t80 -118.14 134.34 23.36 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.211 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.69 135.67 41.86 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.581 2.854 . . . . 0.0 113.042 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.47 32.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.653 -174.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.95 -16.31 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.637 0.256 . . . . 0.0 111.55 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.15 20.22 18.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.881 0.372 . . . . 0.0 111.086 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 28.9 3.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.397 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -105.69 23.35 14.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.813 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 61.34 -163.79 0.25 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -178.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.19 -63.42 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.45 99.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.218 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -101.78 174.94 24.97 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.254 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.65 8.97 0.88 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.22 150.38 23.69 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.477 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -118.58 118.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.87 112.25 28.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.683 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -102.36 99.01 9.05 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.55 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -110.03 121.59 6.05 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.161 -173.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -104.07 120.97 42.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 40.4 tp -102.01 130.61 48.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.894 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.438 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 30.7 p90 -166.45 125.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 91.4 mt -112.27 136.2 52.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -84.31 118.34 24.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.685 175.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.579 ' HG ' ' HZ2' ' A' ' 137' ' ' TRP . 5.0 m -65.01 155.96 32.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.147 177.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.37 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.187 0.518 . . . . 0.0 110.277 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -77.24 -10.87 59.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.263 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.09 64.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.746 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.434 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -141.47 147.43 37.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 99.1 mt -104.89 101.89 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.424 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.447 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 15.1 mm100 -103.67 123.27 46.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.452 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 27.8 mmtp -66.49 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.455 0.472 . . . . 0.0 111.63 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.493 ' HA3' HD22 ' A' ' 50' ' ' LEU . . . 169.31 79.32 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -95.37 113.25 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 60.92 52.76 4.03 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.725 0.774 . . . . 0.0 109.308 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -110.97 131.02 55.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.077 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 27.4 ttpt -81.12 116.58 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.055 0.455 . . . . 0.0 111.063 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.66 114.85 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.28 113.06 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.385 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.8 tp -98.99 101.94 13.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.158 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 8.2 pt-20 -116.83 148.6 42.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.256 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.6 Cg_exo -72.99 136.79 25.51 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.005 2.47 . . . . 0.0 112.951 -177.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.26 117.84 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 p -135.52 173.38 11.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 m -69.39 -45.4 69.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.929 0.395 . . . . 0.0 110.354 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.511 ' HD1' ' HB3' ' A' ' 30' ' ' PHE . 92.0 t80 -60.54 -37.21 80.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.346 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.482 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 1.5 tpt -76.37 -24.0 54.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.786 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.69 -41.24 90.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.91 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.76 -37.66 59.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.424 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -61.36 -36.45 80.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.42 -20.24 65.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.503 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -84.36 -47.8 10.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.342 . . . . 0.0 111.741 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.78 13.16 18.44 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.79 108.83 2.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.166 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.9 p30 43.27 72.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.804 0.811 . . . . 0.0 111.914 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 91' ' ' ARG . 1.8 tt -106.01 128.07 53.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.604 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.447 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . 13.9 t70 -62.69 144.03 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.407 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.511 ' HB3' ' HA2' ' A' ' 150' ' ' GLY . . . -65.23 -27.09 68.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 111.648 -176.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.18 -6.5 59.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 110.791 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HG3' ' HB3' ' A' ' 87' ' ' ASP . 9.4 mtmm -106.21 12.95 29.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 109.656 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.435 ' HA ' HD23 ' A' ' 86' ' ' LEU . 29.0 tpt85 -73.26 102.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.774 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -68.78 118.2 58.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.94 -7.56 20.12 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 113.735 -171.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.35 3.36 25.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.639 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.6 t -104.06 90.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 173.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 pm0 -91.84 149.4 38.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.957 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -65.24 115.17 3.17 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 111.311 176.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.64 163.78 20.37 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.161 2.574 . . . . 0.0 112.677 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.2 t -74.44 94.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD12 ' HE1' ' A' ' 76' ' ' MET . 80.1 mt -83.66 177.28 8.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.16 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.503 ' OD1' ' HD2' ' A' ' 103' ' ' ARG . 14.3 t70 -69.03 132.69 90.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.752 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.2 Cg_exo -60.66 -8.84 9.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.653 2.902 . . . . 0.0 114.374 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.503 ' HD2' ' OD1' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -59.84 -27.15 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.96 0.346 . . . . 0.0 110.523 175.698 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -54.83 -40.96 70.13 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.11 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.19 -10.79 59.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.856 0.36 . . . . 0.0 111.25 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.43 -34.03 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.72 -22.33 12.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -84.28 128.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.838 0.351 . . . . 0.0 110.571 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -99.66 112.53 24.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.164 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.77 114.63 28.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.49 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -119.97 167.29 12.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.209 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 96.4 m -115.47 120.49 39.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.7 p -65.04 136.62 56.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.988 0.423 . . . . 0.0 111.3 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.03 172.24 9.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -57.11 -20.09 23.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.199 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -81.24 -3.06 51.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.554 0.216 . . . . 0.0 111.264 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.537 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.98 49.85 38.59 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.72 140.12 44.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.439 -0.381 . . . . 0.0 111.149 -171.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.55 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 43.4 p90 -128.62 137.33 51.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 169.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.93 121.92 22.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.136 -169.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.507 ' HB3' HD11 ' A' ' 124' ' ' ILE . 62.6 m-85 -133.73 136.77 44.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.484 ' OD2' ' HD2' ' A' ' 123' ' ' HIS . 6.2 p-10 -127.82 -177.94 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 171.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.484 ' HD2' ' OD2' ' A' ' 122' ' ' ASP . 15.8 m-70 65.13 27.55 12.36 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -175.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.507 HD11 ' HB3' ' A' ' 121' ' ' PHE . 49.6 mm -93.27 122.06 63.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.238 -171.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.55 165.91 25.72 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.908 2.405 . . . . 0.0 111.327 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -98.11 115.11 27.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.01 0.433 . . . . 0.0 110.84 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.5 -168.11 38.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.9 p -97.05 130.31 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.73 0.3 . . . . 0.0 110.793 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.77 154.6 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.046 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -105.36 118.07 35.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.03 105.47 17.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 9.6 t -109.47 135.24 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.924 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.9 m -147.13 129.11 15.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.608 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -90.08 91.81 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 109.964 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.611 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 40.1 tp -110.05 109.83 20.52 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.9 p -134.4 129.94 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.239 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.611 ' CZ3' ' HG ' ' A' ' 135' ' ' LEU . 28.2 p90 -136.27 140.52 43.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.966 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 17.9 p -88.26 122.24 31.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.234 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.13 128.64 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.577 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.527 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 23.8 pt20 -82.44 106.66 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.337 0.589 . . . . 0.0 110.394 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 p -112.31 115.68 29.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.367 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.6 t70 62.12 26.03 15.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.84 -22.28 38.88 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.195 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -94.81 118.87 32.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.527 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.2 m -83.44 116.66 22.62 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.636 -176.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.27 152.92 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.9 m -87.25 93.68 9.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.15 120.94 21.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.076 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.63 -152.59 16.81 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.732 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.511 ' HA2' ' HB3' ' A' ' 88' ' ' ALA . . . 150.64 -158.81 27.85 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 25.0 m -92.3 102.53 15.03 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.6 p -90.26 131.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.885 0.374 . . . . 0.0 110.167 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.88 109.58 11.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.056 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -110.09 134.44 52.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.251 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.87 121.37 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.175 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.1 t -123.53 136.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.5 t -111.86 110.69 21.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.641 0.734 . . . . 0.0 110.513 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.35 108.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.369 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.8 m -134.64 36.3 3.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.376 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.16 148.8 19.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.305 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 22.4 p -98.48 16.55 21.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.334 0.588 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.453 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 52.5 mt-30 -123.59 163.28 35.61 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.626 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 96.4 Cg_exo -44.17 109.61 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.238 2.625 . . . . 0.0 113.63 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -95.22 112.87 24.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.561 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.95 103.75 9.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.449 . . . . 0.0 110.294 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.5 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 60.0 t -115.25 119.01 60.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.493 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 90.7 mt -92.07 108.79 20.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 50' ' ' LEU . 39.4 tp -80.53 96.42 6.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 0.0 109.46 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 13.8 t -160.66 145.95 14.56 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.466 ' C ' ' HE ' ' A' ' 170' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -64.56 -39.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 111.012 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -142.1 113.97 8.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -109.29 12.57 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 110.206 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -135.5 153.39 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.493 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -118.13 137.91 52.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -138.6 99.18 3.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.722 0.296 . . . . 0.0 110.867 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -166.56 123.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.208 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -136.24 -20.5 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.417 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -93.5 92.24 7.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -101.62 -13.53 17.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.591 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.48 108.11 0.67 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.368 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.3 mt -91.92 -53.62 4.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.903 0.382 . . . . 0.0 110.336 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -90.39 146.23 34.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.532 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.53 -46.54 26.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.809 2.339 . . . . 0.0 112.168 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -127.64 125.76 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.802 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.82 148.54 33.56 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.6 p -83.44 111.45 19.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.809 0.304 . . . . 0.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -67.16 105.0 1.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.14 82.89 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.579 -169.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.59 157.82 45.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.374 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -137.3 173.49 11.62 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 71.25 114.9 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.468 0 O-C-N 123.797 0.686 . . . . 0.0 110.947 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.31 75.0 4.84 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 67.63 -90.09 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.904 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.407 ' CG ' ' HZ3' ' A' ' 82' ' ' LYS . 14.8 t70 179.64 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 91.2 mt -127.3 123.45 23.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.357 173.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.611 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 6.5 Cg_exo -72.73 115.96 4.54 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.678 2.252 . . . . 0.0 111.526 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -70.3 -37.54 74.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -172.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -81.86 -39.99 0.96 Allowed Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.611 ' HG2' ' HB2' ' A' ' 28' ' ' PRO . 76.8 Cg_exo -55.04 1.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.839 2.359 . . . . 0.0 115.067 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.52 -11.84 54.63 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.948 -0.47 . . . . 0.0 110.447 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -59.36 -25.25 64.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.008 173.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.496 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 20.6 tt0 -73.54 -10.97 60.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.917 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.65 -1.38 18.68 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.53 9.08 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 111.003 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.79 6.76 32.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.351 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -99.03 146.99 25.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.606 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -122.66 155.51 36.24 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -96.54 0.44 50.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.71 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -78.07 94.18 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.293 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -150.84 140.67 8.07 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.05 20.79 35.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.883 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.63 140.98 25.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.404 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.13 111.06 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 HG13 HG13 ' A' ' 124' ' ' ILE . 67.5 mt -93.45 122.2 44.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.747 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.423 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 14.0 m120 -114.47 103.6 11.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -116.25 139.34 15.2 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.309 -172.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -120.99 130.9 53.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 HD12 HD21 ' A' ' 168' ' ' LEU . 50.3 tp -101.57 123.5 45.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.721 -175.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HB3' ' HD2' ' A' ' 61' ' ' LYS . 28.7 p90 -162.73 116.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.305 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.506 HD22 ' HA ' ' A' ' 169' ' ' THR . 83.0 mt -105.7 149.27 26.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 0.0 110.996 -177.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.04 122.29 27.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.929 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -76.76 163.15 27.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.838 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.71 68.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.565 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 p -81.0 -2.97 50.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.441 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.68 32.15 25.19 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.251 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.25 156.33 18.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.52 107.76 23.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.885 0.374 . . . . 0.0 110.437 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -104.84 125.74 51.2 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.5 mmmp? -73.0 -69.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.764 0.316 . . . . 0.0 111.581 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.31 101.2 2.23 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.192 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.4 m -109.89 138.58 46.06 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 61.39 32.24 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -101.72 130.1 48.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -84.84 118.06 24.26 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.263 0.554 . . . . 0.0 111.641 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.01 119.72 42.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.747 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.36 116.42 28.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -99.63 100.89 11.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.449 ' HG2' HG13 ' A' ' 108' ' ' VAL . 44.2 mt-10 -114.75 133.52 22.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.353 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.513 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 21.7 Cg_endo -61.62 131.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.961 2.441 . . . . 0.0 112.659 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.46 83.59 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.382 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.496 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 58.6 p -92.39 -176.67 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.983 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 p -68.14 -34.54 76.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.547 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.49 -39.1 71.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.486 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 81.1 mmm -74.03 -17.36 60.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.175 -177.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -63.46 -42.42 98.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.345 179.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -73.64 -40.0 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.633 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -64.16 -37.63 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -66.62 -34.19 77.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.742 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.07 63.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 47.9 mtpt -84.85 -22.79 29.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.12 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -130.27 -82.54 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.242 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.56 -139.75 21.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.374 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.423 ' HB3' ' H ' ' A' ' 153' ' ' THR . 7.6 p30 -97.0 120.0 36.52 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.479 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -142.77 125.0 15.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 111.782 -171.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.41 146.19 49.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.542 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.32 64.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.667 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.28 -23.3 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 111.224 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -120.42 33.09 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.37 0.605 . . . . 0.0 110.457 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.479 ' HA ' HD21 ' A' ' 86' ' ' LEU . 22.8 tpp85 -69.64 106.64 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.273 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -74.84 119.5 77.09 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 -177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -96.61 12.88 1.06 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.256 2.637 . . . . 0.0 112.325 176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.43 -48.86 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 105.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.938 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 29.7 pt20 -85.55 136.35 37.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.034 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 6.5 Cg_exo -74.04 119.35 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.795 2.33 . . . . 0.0 111.506 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -66.48 155.3 70.81 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.958 2.439 . . . . 0.0 112.266 179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -70.05 105.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.762 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -87.1 169.2 12.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.292 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 12.9 t70 -62.02 135.86 94.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.373 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 46.2 Cg_exo -58.36 -13.69 17.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.758 2.972 . . . . 0.0 114.265 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.42 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 21.5 mmt85 -55.59 -26.42 43.72 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 111.181 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -58.52 -34.37 70.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.589 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -19.59 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 111.212 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.65 -38.13 10.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 46.6 m-85 -85.84 -32.47 21.71 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.449 HG13 ' HG2' ' A' ' 70' ' ' GLU . 84.5 t -74.94 106.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.577 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -94.32 129.16 41.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.96 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.79 124.57 51.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.528 ' HB1' ' CE2' ' A' ' 121' ' ' PHE . . . -111.23 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.397 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.5 m -93.18 119.48 32.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.391 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.525 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 67.3 p -64.18 127.54 31.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -78.52 -95.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -97.79 -68.0 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.691 -171.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.09 6.38 16.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.375 . . . . 0.0 111.005 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.525 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 82.8 54.73 3.15 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.435 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -137.28 152.33 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -155.53 164.99 37.93 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.322 0.389 . . . . 0.0 110.264 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.24 158.5 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.699 0.285 . . . . 0.0 110.78 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.528 ' CE2' ' HB1' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -140.86 140.24 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.051 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -110.96 165.35 11.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.615 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.6 m80 63.01 70.72 0.54 Allowed 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.59 0.556 . . . . 0.0 111.178 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 50.2 mm -121.95 108.39 34.68 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.818 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.497 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 16.3 Cg_endo -61.06 137.48 71.97 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.168 1.912 . . . . 0.0 110.845 173.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -66.22 131.05 45.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.791 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.54 -163.57 36.28 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.713 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.5 p -104.23 132.99 49.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 111.084 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.513 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 95.7 m-85 -135.69 151.43 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.79 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 155' ' ' LEU . 22.2 m-85 -101.97 110.73 22.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.491 HD11 HG23 ' A' ' 156' ' ' VAL . 20.1 mt -94.35 107.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -115.06 136.37 53.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.113 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.0 m -138.56 139.79 38.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.462 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.04 91.65 8.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.485 . . . . 0.0 109.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.4 tp -125.65 96.55 4.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.562 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.408 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.4 t -131.34 142.98 50.17 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.704 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.2 p90 -138.24 155.35 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.224 -178.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -108.25 146.07 33.39 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.824 0.345 . . . . 0.0 110.636 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.11 51.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.108 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -92.19 102.44 14.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.931 0.396 . . . . 0.0 110.4 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -107.6 127.71 53.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.675 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.16 -78.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.744 0.653 . . . . 0.0 111.154 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.94 19.87 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -133.71 159.57 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.3 m -93.55 113.39 25.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.808 0.337 . . . . 0.0 110.164 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.8 pt -98.18 162.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.503 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.9 m -113.57 123.83 50.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -118.24 119.96 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.884 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.84 179.28 24.46 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.121 -1.038 . . . . 0.0 112.579 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 165.8 -133.21 2.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 p -84.14 102.81 12.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.029 0.443 . . . . 0.0 110.222 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.66 97.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.75 0.786 . . . . 0.0 109.634 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.423 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 8.2 m -101.11 111.47 23.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.07 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -109.67 135.26 50.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.355 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.402 HD11 ' CE1' ' A' ' 130' ' ' TYR . 50.3 tp -80.27 107.83 13.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.066 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.491 HG23 HD11 ' A' ' 131' ' ' ILE . 98.9 t -107.28 135.81 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.308 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.3 m -123.89 108.72 12.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.704 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.1 96.68 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -86.64 -29.81 22.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.259 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.57 15.72 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.368 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 6.0 m -82.62 56.51 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.408 0.623 . . . . 0.0 110.432 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.47 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 23.7 mt-30 -135.63 172.65 6.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 53.4 Cg_exo -53.87 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.237 1.958 . . . . 0.0 111.953 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -106.46 104.61 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.65 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 28.9 ttpp -82.16 110.83 17.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.486 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.9 t -105.96 113.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.383 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.92 102.99 15.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.717 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.486 HD21 HD12 ' A' ' 50' ' ' LEU . 29.0 tp -81.75 94.66 7.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.506 ' HA ' HD22 ' A' ' 52' ' ' LEU . 15.3 t -156.82 172.93 17.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.534 -173.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.569 175.43 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.908 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -88.24 -17.11 31.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -92.62 5.53 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.953 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -61.37 117.78 6.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.691 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -125.42 -160.91 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.606 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -80.56 136.82 36.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.941 0.4 . . . . 0.0 110.095 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -77.92 14.34 1.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.97 -174.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 68.98 -72.38 0.1 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.091 0.556 . . . . 0.0 111.478 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -139.3 117.6 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m -122.85 26.82 8.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -95.45 -59.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.939 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.8 118.56 4.77 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.047 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' H ' HD22 ' A' ' 13' ' ' LEU . 2.0 pt? -91.6 -14.58 29.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.132 0.492 . . . . 0.0 110.22 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG23 ' H ' ' A' ' 16' ' ' ARG . 7.3 p -104.25 135.6 19.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.73 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.71 -11.07 25.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.664 2.243 . . . . 0.0 113.375 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.569 ' H ' HG23 ' A' ' 14' ' ' VAL . 35.5 ttm180 -73.82 116.67 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.93 2.83 16.23 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.65 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 p -85.18 -57.71 2.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.192 0.52 . . . . 0.0 110.443 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -142.37 148.04 37.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.503 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -98.75 152.42 19.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.381 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 83.18 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.334 0.588 . . . . 0.0 111.009 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -96.4 44.41 1.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.484 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t30 69.24 100.87 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.985 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.27 -166.7 0.43 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.706 2.271 . . . . 0.0 112.212 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -80.47 155.67 26.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' CG ' ' HZ3' ' A' ' 82' ' ' LYS . 31.4 t70 -70.02 -29.65 66.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 0.0 110.622 -177.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.63 156.49 40.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.797 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.49 163.19 35.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.592 2.195 . . . . 0.0 112.652 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.1 82.72 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.9 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 86.2 m-85 -141.77 137.66 16.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.141 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 30' ' ' PHE . 6.9 Cg_exo -73.78 170.77 19.26 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.162 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -79.5 7.52 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -62.99 -22.27 66.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.03 -30.43 71.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.231 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.87 -22.4 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.07 10.93 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.927 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.91 17.76 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.685 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 126.09 27.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.805 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.508 ' HB2' ' CB ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -82.27 -175.86 5.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.949 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -135.84 -54.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.204 0.526 . . . . 0.0 111.519 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.22 126.26 39.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.076 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.52 ' HA3' ' HA ' ' A' ' 125' ' ' PRO . . . -174.92 138.58 4.41 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.129 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.99 33.85 5.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.889 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.22 83.86 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.735 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 66.4 t -82.42 110.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.5 mt -111.36 117.7 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -102.29 106.89 17.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.621 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.22 130.86 9.84 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.984 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.0 115.92 29.13 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD11 HD21 ' A' ' 168' ' ' LEU . 32.5 tp -94.17 133.64 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.239 -173.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' HH ' HD12 ' A' ' 167' ' ' LEU . 34.9 p90 -170.97 124.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.356 172.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -110.99 150.43 29.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.01 132.82 36.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.643 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 t -81.63 157.22 24.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.716 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 -8.66 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.135 0.493 . . . . 0.0 110.706 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 m -93.4 -0.14 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.43 41.85 19.72 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.424 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.88 152.39 36.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.39 116.63 46.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 111.18 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 9.3 mm100 -94.29 123.26 37.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.963 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mmtt -82.88 -63.47 1.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.042 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.66 95.09 1.07 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.347 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -96.2 110.08 22.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 56.31 70.24 0.66 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.843 0.83 . . . . 0.0 109.367 -173.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -123.92 134.19 53.58 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.517 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -90.49 126.03 35.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.473 0.654 . . . . 0.0 112.59 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.421 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 60.4 t -102.42 116.88 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.259 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.2 123.13 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -100.61 99.44 10.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.86 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -108.29 141.7 23.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.009 0.433 . . . . 0.0 111.383 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.506 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 38.2 Cg_endo -67.09 131.62 25.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.013 2.475 . . . . 0.0 112.985 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HB2' HG21 ' A' ' 128' ' ' THR . . . -73.54 112.65 9.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 p -139.01 164.01 30.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.224 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.6 m -67.67 -23.67 65.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.94 0.4 . . . . 0.0 110.315 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.28 -41.41 96.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -80.38 -27.64 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.428 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -52.35 -51.4 59.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.655 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.0 66.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.88 -36.18 56.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.097 0.475 . . . . 0.0 110.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.663 ' HE1' HG21 ' A' ' 153' ' ' THR . 50.9 t80 -67.21 -32.7 73.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.076 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.77 68.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.988 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HZ3' ' CG ' ' A' ' 26' ' ' ASP . 96.4 mttt -82.33 -64.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 177.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -94.79 -93.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.06 -135.02 37.11 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.076 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.567 ' HA ' ' O ' ' A' ' 151' ' ' THR . 4.9 p30 -76.14 114.4 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.029 0.442 . . . . 0.0 109.834 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -148.65 132.66 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.307 -173.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.527 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -62.51 143.45 57.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.409 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.01 -22.12 66.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.717 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.54 -12.87 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.447 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 48.3 pttt -127.04 20.01 6.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.283 0.563 . . . . 0.0 109.678 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.534 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -79.47 93.32 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.656 -178.513 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.45 118.39 61.9 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.165 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.73 -10.71 7.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.619 2.213 . . . . 0.0 112.59 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.78 -43.98 11.47 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -74.12 90.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.376 0.608 . . . . 0.0 109.936 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.05 149.0 49.27 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.17 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 9.9 Cg_endo -53.4 150.59 26.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.375 2.717 . . . . 0.0 112.698 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 9.9 Cg_exo -71.72 -163.49 0.14 Allowed 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 123.069 2.513 . . . . 0.0 112.168 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.5 t -75.57 103.33 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.84 0.353 . . . . 0.0 110.13 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.1 164.0 13.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.512 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 17.8 t70 -72.64 127.9 89.19 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.339 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.84 -6.63 11.44 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.792 2.328 . . . . 0.0 112.915 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -83.96 -6.96 59.52 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 110.377 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 101' ' ' ASP . 15.9 mtm105 -57.43 -30.37 64.93 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.081 175.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.48 62.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.9 m -95.23 -39.57 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -79.94 -35.07 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.866 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -77.16 129.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.424 ' NH1' HG12 ' A' ' 124' ' ' ILE . 64.9 mtp180 -90.99 130.45 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.876 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.88 118.7 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.13 116.72 31.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.5 m -94.89 130.35 41.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.486 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.2 p -66.7 124.11 21.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.664 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.02 -60.36 3.43 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.849 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -163.27 -56.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.771 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 17.4 m120 -86.92 31.49 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.675 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.419 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 53.8 57.33 16.52 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.42 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.8 ttp180 -135.66 150.86 49.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.437 ' CE2' ' HA3' ' A' ' 48' ' ' GLY . 28.2 p90 -145.72 124.21 12.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.268 0.556 . . . . 0.0 109.739 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -111.4 124.03 51.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.953 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.523 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 50.2 m-85 -105.13 144.06 32.44 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.45 150.25 30.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.217 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.8 m80 60.37 67.41 0.85 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.292 0.568 . . . . 0.0 110.716 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.438 ' CD1' ' HB3' ' A' ' 121' ' ' PHE . 43.2 mt -129.0 125.02 22.71 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.882 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.52 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 20.6 Cg_endo -61.36 133.69 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.307 2.004 . . . . 0.0 111.207 174.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -65.87 146.62 54.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.22 -176.36 35.22 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.49 HG21 ' HB2' ' A' ' 72' ' ' ALA . 5.5 t -96.26 130.84 43.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.052 0.453 . . . . 0.0 110.484 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.506 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 97.6 m-85 -140.0 159.44 42.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.43 ' CE1' HD11 ' A' ' 155' ' ' LEU . 45.6 m-85 -105.43 126.97 52.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.957 174.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.582 ' O ' ' HA ' ' A' ' 153' ' ' THR . 64.5 mt -94.2 104.24 15.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 m -114.97 117.41 30.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.001 0.429 . . . . 0.0 110.59 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.421 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 13.2 p -134.19 133.34 40.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -100.33 100.88 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.048 0.451 . . . . 0.0 110.069 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.434 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 54.0 tp -108.83 102.0 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 p -115.14 138.17 51.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.459 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 42.9 p90 -145.66 157.01 44.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.6 m -102.13 132.31 48.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.918 0.39 . . . . 0.0 110.438 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 170.83 10.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.785 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -104.88 122.18 45.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.728 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.6 t -92.57 -88.98 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.601 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -111.68 15.97 20.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.556 0.693 . . . . 0.0 109.608 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 124.61 -18.85 7.15 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -88.46 145.12 25.95 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.9 m -92.91 112.67 24.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.1 pt -106.37 151.08 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.726 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.0 m -96.7 110.56 22.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.164 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -97.12 178.14 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 85.13 -134.11 12.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.585 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.31 -158.26 16.99 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 16.5 p -88.93 103.24 15.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.105 0.479 . . . . 0.0 110.218 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.91 123.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.948 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.663 HG21 ' HE1' ' A' ' 80' ' ' TYR . 10.1 m -117.19 128.07 54.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -110.83 119.35 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.43 HD11 ' CE1' ' A' ' 130' ' ' TYR . 61.9 tp -80.86 116.9 21.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.32 130.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 3.4 t -118.07 94.59 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.482 0.658 . . . . 0.0 110.252 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.447 HG22 HD13 ' A' ' 46' ' ' ILE . 64.9 t -80.1 96.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.046 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.3 m -108.32 61.46 0.61 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.554 0.692 . . . . 0.0 109.744 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 173.59 -158.57 27.88 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.369 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 49.7 m -143.91 29.81 1.34 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 111.067 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.61 150.52 37.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.897 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.6 Cg_exo -60.0 105.74 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.449 2.099 . . . . 0.0 111.134 174.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -99.31 111.45 23.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.621 ' HZ1' ' HB3' ' A' ' 165' ' ' LYS . 6.5 ttpm? -79.02 117.51 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.632 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.621 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.9 t -125.38 127.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.358 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.461 HD12 ' HH ' ' A' ' 51' ' ' TYR . 87.5 mt -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.923 0.392 . . . . 0.0 110.038 177.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 50' ' ' LEU . 34.7 tp -81.79 85.08 6.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.775 0.798 . . . . 0.0 109.314 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.0 t -137.78 174.08 10.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.666 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.41 HH22 ' CG ' ' A' ' 87' ' ' ASP . 56.9 ttt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.526 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -77.47 76.36 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.091 0.472 . . . . 0.0 111.551 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -161.43 166.62 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.96 119.58 9.71 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -81.44 95.29 7.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.675 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t60 54.34 65.17 1.58 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.653 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.9 m80 -146.64 -161.0 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.89 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -91.85 146.54 23.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.423 0.63 . . . . 0.0 111.406 178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -144.67 73.06 1.36 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -63.82 121.93 15.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.499 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m 68.1 94.08 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.92 0.762 . . . . 0.0 112.071 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.65 81.19 0.36 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.52 155.54 37.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.447 0.165 . . . . 0.0 110.831 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 67.0 t 73.42 117.56 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.19 0 O-C-N 123.981 0.801 . . . . 0.0 110.752 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 14' ' ' VAL . 2.9 Cg_exo -74.98 39.78 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.426 2.751 . . . . 0.0 112.174 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -68.97 112.66 5.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.282 0.563 . . . . 0.0 109.553 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.92 -26.94 5.25 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -171.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 m -98.42 72.72 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -79.55 89.49 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.761 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.6 mtt -60.45 156.32 16.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.67 66.24 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 m -144.17 28.88 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.442 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.72 143.01 43.04 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.532 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.14 121.03 9.03 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.836 2.357 . . . . 0.0 112.13 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -122.14 18.01 10.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.066 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -81.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.706 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.66 92.04 19.02 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-O 121.118 0.485 . . . . 0.0 110.109 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.9 -168.89 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.244 2.63 . . . . 0.0 112.712 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.63 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t70 -139.03 164.48 29.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.63 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 45.3 m-85 105.8 -50.22 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 125.207 1.403 . . . . 0.0 114.125 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.589 ' HD2' ' C ' ' A' ' 29' ' ' ASP . 50.4 Cg_endo -68.52 52.98 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 122.354 2.036 . . . . 0.0 113.445 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.61 -28.48 37.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.289 0.566 . . . . 0.0 110.537 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -72.85 -7.43 50.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.509 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.37 -20.82 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -68.17 -29.81 68.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.28 8.74 38.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.59 -16.62 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.781 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -90.65 -29.78 17.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.536 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 66.93 -164.6 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -122.24 -30.98 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.02 112.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 0.0 110.931 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.488 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -157.22 148.78 18.95 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.707 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 37.18 3.74 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.375 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.556 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -82.5 137.73 17.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.118 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.14 120.81 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.517 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 65.3 mt -116.81 127.81 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.765 0.316 . . . . 0.0 111.021 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.06 107.76 18.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.551 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -113.99 122.47 5.75 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.075 -1.06 . . . . 0.0 113.728 -171.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.46 124.56 48.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.495 HD13 HD23 ' A' ' 168' ' ' LEU . 30.9 tp -105.28 125.54 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.474 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 29.4 p90 -161.03 113.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.464 0.65 . . . . 0.0 110.285 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 135' ' ' LEU . 93.1 mt -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.352 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -91.29 132.76 35.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.403 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 28.4 p -73.57 161.88 29.86 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.2 -10.3 53.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.656 0.741 . . . . 0.0 109.511 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 t -79.53 -15.15 58.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.359 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.74 32.87 8.24 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.897 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.7 121.99 40.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 110.712 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -89.34 121.8 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 21.3 mm-40 -106.64 125.99 51.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.686 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 27.4 mmtp -76.12 -21.89 56.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 178.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.38 84.57 0.81 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.71 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -99.48 137.24 38.25 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.7 t30 54.65 49.73 17.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.927 0.87 . . . . 0.0 109.439 -173.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -119.91 125.57 48.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.834 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.552 ' HE2' ' HB3' ' A' ' 110' ' ' GLU . 81.8 tttt -94.34 119.04 32.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.196 0.522 . . . . 0.0 110.941 -173.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.29 138.48 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.461 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.61 112.19 22.51 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.44 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 109' ' ' ARG . 53.4 tp -95.97 110.47 22.68 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.756 ' HG2' HG22 ' A' ' 108' ' ' VAL . 36.9 mt-10 -117.52 143.32 31.96 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.052 -172.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 27.3 Cg_exo -64.37 147.65 90.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.792 2.328 . . . . 0.0 111.894 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.08 69.07 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.41 0.624 . . . . 0.0 109.995 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 133.14 47.3 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.645 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 t -52.14 -35.96 49.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 110.953 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.04 -44.81 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mmm -77.12 -18.53 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.684 -175.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.654 ' HG3' ' HH ' ' A' ' 130' ' ' TYR . 87.6 tttt -59.31 -40.97 87.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.21 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.834 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.68 -40.22 96.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.463 ' HH ' ' CD ' ' A' ' 70' ' ' GLU . 37.8 m-85 -85.13 3.46 38.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 112.053 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.55 -29.62 46.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 164.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HB3' ' HE3' ' A' ' 82' ' ' LYS . 30.5 mmmt -85.1 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.067 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -102.84 22.45 13.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.896 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -75.81 -68.95 1.45 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.971 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -111.18 93.79 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.018 0.437 . . . . 0.0 109.839 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.8 tt -136.83 113.4 10.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.574 -175.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.543 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . 3.4 m-20 -62.92 151.81 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.58 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.99 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.5 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 91.7 mttt -88.83 -3.3 58.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.463 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -61.9 103.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.465 ' HB3' HG23 ' A' ' 95' ' ' VAL . 23.1 t70 -103.64 132.77 20.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.264 -177.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -12.18 32.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.028 2.485 . . . . 0.0 113.555 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -91.65 -17.28 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 110.15 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.465 HG23 ' HB3' ' A' ' 92' ' ' ASP . 31.2 t -94.84 93.18 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.05 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 91.7 mt-30 -104.86 135.39 19.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.563 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 8.3 Cg_exo -72.41 121.31 7.36 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.858 2.372 . . . . 0.0 111.988 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.6 163.82 37.41 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.075 2.517 . . . . 0.0 112.17 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.31 117.0 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.7 170.43 8.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.479 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.458 ' OD1' ' HG2' ' A' ' 103' ' ' ARG . 13.0 t70 -68.89 136.53 89.85 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.898 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 35.4 Cg_exo -61.22 -5.08 4.61 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.567 2.845 . . . . 0.0 114.45 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.698 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 1.4 mmp_? -55.44 -29.45 58.67 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 110.047 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -57.14 -38.08 72.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.318 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.95 -8.66 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.2 m -116.2 -44.73 2.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.375 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.694 ' HE2' ' HD3' ' A' ' 103' ' ' ARG . 64.8 m-85 -77.16 -20.57 55.32 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.49 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.756 HG22 ' HG2' ' A' ' 70' ' ' GLU . 78.9 t -78.27 106.18 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.477 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 33.7 mtp180 -77.6 123.78 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 0.0 110.235 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 31.5 mt-10 -102.46 131.48 49.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.48 -175.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.83 155.99 47.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.9 m -117.25 127.12 53.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.973 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.432 HG22 ' HD1' ' A' ' 119' ' ' PHE . 24.2 p -68.91 141.14 55.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.97 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.5 -174.95 5.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.697 0.284 . . . . 0.0 110.692 176.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -60.65 -26.93 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.487 HD21 ' HB2' ' A' ' 118' ' ' ARG . 8.2 t30 -75.88 -11.51 59.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.686 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.06 40.37 51.22 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.487 ' HB2' HD21 ' A' ' 116' ' ' ASN . 79.1 ttt180 -137.37 153.34 50.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.154 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.432 ' HD1' HG22 ' A' ' 113' ' ' THR . 41.7 p90 -147.77 167.48 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.909 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.45 143.44 26.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.517 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 53.6 m-85 -120.07 154.72 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.982 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.99 159.39 42.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.337 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.488 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 36.2 t-80 64.0 58.17 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.427 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.448 HG12 HH11 ' A' ' 109' ' ' ARG . 67.2 mt -129.07 129.5 23.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 141.71 95.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.305 2.003 . . . . 0.0 111.1 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.29 133.74 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.323 0.582 . . . . 0.0 111.754 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.7 -174.39 43.34 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 63.3 m -82.93 132.91 35.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.094 0.447 . . . . 0.0 110.701 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 86.1 m-85 -135.27 168.78 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.328 0.585 . . . . 0.0 111.224 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.654 ' HH ' ' HG3' ' A' ' 77' ' ' LYS . 65.5 m-85 -120.04 131.73 55.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.542 174.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 81.7 mt -101.06 104.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 m -98.7 129.17 45.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.81 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.1 m -143.55 127.93 17.84 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.881 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.23 91.36 7.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.494 HD23 HD13 ' A' ' 52' ' ' LEU . 53.7 tp -119.65 102.82 8.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.496 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.1 t -131.02 143.9 51.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.194 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -146.8 164.12 33.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.141 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.0 m -96.89 125.04 41.05 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.826 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.16 124.1 51.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.487 . . . . 0.0 110.511 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.402 HE21 ' HB2' ' A' ' 140' ' ' GLN . 13.4 mt-30 -84.04 101.03 11.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.891 -177.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.9 t -106.74 107.45 18.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.268 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t70 66.13 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.904 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.16 -1.35 2.29 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.886 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.14 141.83 47.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.098 0.449 . . . . 0.0 110.537 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 2.1 m -87.53 114.39 24.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 27.4 pt -93.69 145.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.4 m -86.92 103.15 15.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.15 0.5 . . . . 0.0 110.174 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.403 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 6.5 mm-40 -98.87 142.33 30.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.97 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.04 -166.79 41.07 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.661 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.496 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 146.7 -138.55 7.43 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 26.3 m -88.09 106.88 18.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.89 0.345 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.79 121.71 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.077 0.465 . . . . 0.0 110.125 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 29.3 m -110.3 121.79 46.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.902 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.489 ' HE2' ' O ' ' A' ' 167' ' ' LEU . 61.4 tttp -109.42 125.94 52.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.1 tp -80.13 120.07 23.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.335 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.78 122.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.891 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.538 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 87.6 m -87.53 105.05 17.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.317 0.58 . . . . 0.0 109.801 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.9 89.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.696 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.4 m -108.42 8.43 27.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.449 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 164' ' ' GLN . . . -91.69 94.14 1.9 Allowed Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.794 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.556 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.1 t -71.93 -28.54 63.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -84.27 158.51 60.81 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 170.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.59 101.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.935 2.424 . . . . 0.0 112.735 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.435 ' HB2' ' HA3' ' A' ' 160' ' ' GLY . 58.3 tt0 -96.45 112.58 24.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.566 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -84.55 115.99 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 110.728 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.551 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 64.0 t -116.23 117.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.914 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.489 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 6.6 mp -89.61 109.53 20.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.118 0.485 . . . . 0.0 109.914 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.495 HD23 HD13 ' A' ' 50' ' ' LEU . 38.0 tp -77.34 98.72 5.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.676 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.5 t -167.36 170.9 11.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.438 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.773 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -78.37 -30.36 47.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.609 0.242 . . . . 0.0 110.364 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m 66.96 -68.78 0.14 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.621 0.768 . . . . 0.0 112.586 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -129.03 119.83 24.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -119.05 146.29 45.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.65 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -83.63 96.67 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.522 0.677 . . . . 0.0 110.662 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -78.32 -24.93 46.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.38 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -100.6 93.2 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -172.53 73.9 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.501 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -76.88 -35.45 57.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.489 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -68.62 97.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.36 -18.52 3.07 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -78.06 -29.84 49.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.501 0.667 . . . . 0.0 109.264 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.692 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 27.0 m -79.81 166.87 38.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.754 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.692 ' HD2' ' HB ' ' A' ' 14' ' ' VAL . 57.1 Cg_endo -70.79 34.77 0.25 Allowed 'Trans proline' 0 N--CA 1.476 0.496 0 C-N-CA 122.923 2.415 . . . . 0.0 113.371 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 14' ' ' VAL . 37.4 ttt180 58.45 31.44 20.97 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.276 0.63 . . . . 0.0 110.633 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.26 124.19 0.91 Allowed Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.223 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -90.37 -16.91 28.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 69.38 -78.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.635 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 86.5 mtp 58.16 27.16 14.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.154 0.502 . . . . 0.0 111.03 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.27 -140.96 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.09 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m 71.11 30.87 2.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -94.6 112.03 56.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.701 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.14 125.99 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.024 2.483 . . . . 0.0 111.817 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -81.49 -72.06 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.755 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -168.0 -65.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.359 0.599 . . . . 0.0 109.689 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.93 160.19 66.8 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.847 173.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.1 -163.05 0.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.806 2.337 . . . . 0.0 111.38 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.589 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 t70 -78.44 -171.41 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' H ' ' CG ' ' A' ' 29' ' ' ASP . 96.2 m-85 -112.37 91.82 17.6 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 122.134 -0.354 . . . . 0.0 111.306 -175.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.589 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 31.5 Cg_endo -97.79 115.59 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.704 2.936 . . . . 0.0 112.026 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -85.51 -6.27 59.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.317 0.579 . . . . 0.0 109.928 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -53.36 -41.24 65.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.528 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.9 -28.91 69.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.559 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.411 ' HB3' ' HE2' ' A' ' 107' ' ' TYR . 89.9 m-85 -85.17 -29.57 24.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.11 -20.83 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.68 31.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -100.47 -178.72 3.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.461 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -152.67 156.87 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -111.47 -11.3 14.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.83 95.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.615 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.515 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -151.74 146.56 15.44 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.759 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.69 17.7 6.07 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.431 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.96 135.04 25.88 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.081 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -108.74 106.3 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.8 mt -100.49 111.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.203 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -103.45 115.99 31.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.64 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -117.3 122.13 5.35 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.917 -172.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.55 109.26 21.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.484 HD11 HD21 ' A' ' 168' ' ' LEU . 37.9 tp -88.04 132.84 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.739 0.304 . . . . 0.0 110.927 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.465 ' HB2' HG23 ' A' ' 59' ' ' ILE . 43.7 p90 -171.15 126.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.965 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.3 134.18 55.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.666 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -82.99 126.78 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.235 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 m -74.79 158.95 32.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.681 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -10.23 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.433 0.635 . . . . 0.0 110.154 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 p -93.15 8.87 38.36 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.493 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.85 64.08 3.07 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.768 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -148.57 163.18 38.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG23 ' HB2' ' A' ' 51' ' ' TYR . 53.1 mt -109.59 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.118 0.485 . . . . 0.0 111.425 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.471 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 15.5 mm100 -94.65 109.63 21.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 169.341 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -75.85 -25.97 56.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.58 86.24 0.99 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.63 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -104.89 129.47 53.24 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 62.22 40.83 11.18 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.641 0.588 . . . . 0.0 110.135 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 m -112.92 136.88 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.364 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.29 120.95 26.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.214 0.53 . . . . 0.0 111.807 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.81 116.7 43.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.433 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' HA ' ' O ' ' A' ' 109' ' ' ARG . . . -102.4 126.42 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tt -116.28 129.71 56.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.505 ' HB3' HG21 ' A' ' 108' ' ' VAL . 6.2 pt-20 -138.96 155.44 72.96 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.798 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.502 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 16.5 Cg_exo -68.27 136.3 36.82 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.048 2.499 . . . . 0.0 112.614 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.16 106.22 9.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -100.78 166.92 10.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -77.58 -22.43 50.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.681 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -73.75 -37.45 65.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.596 ' HE2' ' CD2' ' A' ' 79' ' ' TYR . 3.7 tpt -75.5 -3.54 34.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.476 -173.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -55.84 -42.53 75.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.5 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -68.39 -46.22 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.161 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.596 ' CD2' ' HE2' ' A' ' 76' ' ' MET . 66.6 t80 -63.93 -35.48 80.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.483 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' HE1' HG22 ' A' ' 153' ' ' THR . 90.2 t80 -62.83 -35.6 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 178.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.93 61.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 31.2 mmmt -72.84 -44.82 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.133 0.492 . . . . 0.0 110.319 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -124.69 -82.11 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.762 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.82 -128.17 42.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.929 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.0 p30 -80.34 78.14 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.914 0.864 . . . . 0.0 109.904 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 91' ' ' ARG . 6.9 tt -106.14 114.79 29.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.157 -174.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.12 149.53 47.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.562 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.89 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.8 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.49 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 55.7 pttt -107.44 27.9 8.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.522 ' HA ' HD21 ' A' ' 86' ' ' LEU . 16.3 tpp180 -67.51 101.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.1 t70 -77.04 119.76 78.84 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.903 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.0 Cg_endo -82.62 -9.0 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.785 2.323 . . . . 0.0 112.663 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.14 -43.44 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.624 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.63 110.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.42 0.629 . . . . 0.0 110.833 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -96.59 147.86 33.57 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.069 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.81 115.99 2.91 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.319 2.013 . . . . 0.0 111.63 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.38 174.94 11.31 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.875 2.383 . . . . 0.0 112.93 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.43 102.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.57 178.18 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.245 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -73.42 156.74 88.71 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.972 -178.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -77.19 -8.91 17.7 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.883 2.389 . . . . 0.0 112.23 177.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -75.52 -25.69 57.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.007 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.574 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.2 mmp_? -44.44 -67.66 0.26 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.646 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -4.31 7.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.077 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.9 m -88.0 -43.7 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 0.0 110.448 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.411 ' HE2' ' HB3' ' A' ' 35' ' ' TYR . 65.7 m-85 -94.5 -21.31 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.82 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 104' ' ' ARG . 99.1 t -68.47 114.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 75.2 ttt180 -101.37 130.82 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.415 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.61 122.61 47.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.092 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.65 117.34 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.484 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 m -82.32 120.1 24.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.583 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.512 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 28.4 p -62.95 149.04 45.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.99 -164.27 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.476 0.655 . . . . 0.0 111.643 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -58.36 -35.58 72.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.707 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -77.97 -68.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.512 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 141.54 42.67 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.755 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 20.4 ttt180 -121.32 154.02 36.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -141.62 137.16 31.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.738 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -125.68 134.5 51.8 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.495 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 67.9 m-85 -116.8 150.25 38.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.44 168.17 20.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.515 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 21.6 t-80 65.76 38.69 5.1 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.728 0.775 . . . . 0.0 110.356 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.401 HG22 HD13 ' A' ' 46' ' ' ILE . 1.6 mp -100.42 120.52 56.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.574 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.455 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 36.7 Cg_endo -69.0 152.6 73.2 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.259 1.973 . . . . 0.0 111.2 174.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -67.44 142.62 56.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.799 0.333 . . . . 0.0 110.42 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.12 -177.57 27.24 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.588 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.4 m -101.29 132.26 46.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.961 0.38 . . . . 0.0 110.908 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.502 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 81.0 m-85 -133.93 162.1 32.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.092 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.478 ' CE1' HD11 ' A' ' 155' ' ' LEU . 55.9 m-85 -110.04 120.77 43.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.219 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.47 HD12 HG23 ' A' ' 156' ' ' VAL . 59.2 mt -97.33 104.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 49.8 m -114.61 119.19 35.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 37.5 t -125.33 131.87 52.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -96.06 91.31 5.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.39 0.614 . . . . 0.0 110.171 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -111.41 101.88 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.447 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.8 t -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.201 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.471 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 49.4 p90 -132.22 170.07 15.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.978 -175.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.5 p -117.4 123.41 46.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.51 137.34 53.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.529 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 67.5 mt-30 -85.47 110.51 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.04 0.448 . . . . 0.0 110.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.3 m -102.86 104.29 14.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 55.62 41.81 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.335 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.34 32.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.732 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -94.86 110.13 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.3 m -70.52 112.69 6.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.2 pt -106.0 152.2 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.1 m -99.11 112.21 24.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.268 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.447 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 37.7 mt-10 -104.19 150.3 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.6 178.12 45.32 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.361 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.12 -145.1 9.35 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 18.1 m -84.08 102.48 12.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 132' ' ' SER . 10.4 p -94.58 132.08 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.408 HG22 ' HE1' ' A' ' 80' ' ' TYR . 20.9 m -114.51 121.07 42.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.049 0.452 . . . . 0.0 110.852 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -109.54 117.25 33.47 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.379 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.478 HD11 ' CE1' ' A' ' 130' ' ' TYR . 56.0 tp -80.03 113.29 18.08 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.47 HG23 HD12 ' A' ' 131' ' ' ILE . 76.0 t -121.93 122.89 67.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.476 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 13.6 t -112.26 121.02 43.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.457 0.646 . . . . 0.0 109.579 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.41 112.69 27.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.222 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.1 p -66.62 -45.39 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.857 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -159.65 -167.63 20.54 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.352 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.431 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.5 m -83.91 58.24 4.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -120.15 167.08 13.33 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.047 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 107.47 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.73 2.287 . . . . 0.0 111.529 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -104.05 103.46 13.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.079 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.37 116.28 22.95 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.64 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.7 t -124.59 111.32 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.328 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.7 112.21 19.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 50' ' ' LEU . 29.8 tp -79.69 82.7 5.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.947 -177.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.1 t -140.41 -158.97 0.91 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.833 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 170' ' ' ARG . 7.2 tpt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.393 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -83.06 15.05 2.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 0.0 111.076 -176.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -61.09 -30.86 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 11.0 p80 -108.23 126.18 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.33 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 4' ' ' HIS . 34.0 m-70 71.57 93.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 124.005 0.816 . . . . 0.0 110.731 -173.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -102.18 148.51 25.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.944 176.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -71.43 81.41 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.273 0.559 . . . . 0.0 111.388 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -112.72 140.73 47.25 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -92.46 27.23 2.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.627 0.727 . . . . 0.0 109.495 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 p -82.63 76.92 9.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.307 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 p -94.73 3.15 55.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.638 0.732 . . . . 0.0 109.39 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.03 -135.64 7.26 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.693 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.59 ' HG ' ' H ' ' A' ' 14' ' ' VAL . 1.7 pt? -143.97 -58.98 0.39 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.59 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 m -136.4 120.91 12.78 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.614 177.088 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -65.38 -42.95 11.72 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.394 2.063 . . . . 0.0 112.07 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 50.47 -91.79 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.814 0.846 . . . . 0.0 112.703 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.99 52.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.297 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.438 ' HB2' ' H ' ' A' ' 19' ' ' HIS . 2.7 p -100.09 -155.49 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.774 -0.213 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.438 ' H ' ' HB2' ' A' ' 18' ' ' SER . 41.6 m80 76.46 -38.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.607 0.763 . . . . 0.0 111.909 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.1 ttt -73.79 81.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.592 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.03 17.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.366 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 t -89.34 0.16 57.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.53 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.41 118.56 29.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.138 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.91 101.94 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.444 2.096 . . . . 0.0 112.173 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -130.48 -49.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.791 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.66 -83.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.0 109.05 41.52 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' O ' ' HD2' ' A' ' 31' ' ' PRO . 34.8 Cg_endo -93.68 140.77 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.378 2.718 . . . . 0.0 112.739 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.62 -17.7 59.03 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 111.24 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.0 m-85 -61.5 -56.68 31.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -175.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.518 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 84.3 Cg_endo -79.53 21.41 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.135 1.89 . . . . 0.0 113.937 -172.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.561 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -86.7 40.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 0.0 109.764 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -95.75 0.88 52.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.96 -19.53 27.12 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 104' ' ' ARG . 11.7 m-30 -67.5 -30.43 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.249 0.477 . . . . 0.0 110.715 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 8.16 31.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.402 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.71 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -80.54 109.98 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.73 -179.63 7.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 68.53 103.85 0.05 Allowed 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.119 0.887 . . . . 0.0 110.47 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.37 130.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.399 0.618 . . . . 0.0 111.527 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.96 -164.89 15.45 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.149 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.26 3.99 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.129 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.25 101.24 1.23 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.524 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 50.6 t -82.92 106.42 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -93.43 106.13 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.635 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 3.9 t-20 -128.7 133.88 48.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.395 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.593 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -178.06 -163.9 30.41 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.534 -1.317 . . . . 0.0 113.194 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.58 155.53 45.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.648 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.632 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 23.4 tp -117.53 130.12 56.22 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.676 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 38.4 p90 -167.99 129.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 169' ' ' THR . 91.7 mt -119.75 125.6 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.41 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.52 HG22 HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -82.34 123.79 29.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.096 0.475 . . . . 0.0 110.61 174.506 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.598 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 13.5 p -80.59 164.22 23.07 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.194 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.0 -20.51 65.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.615 0.721 . . . . 0.0 109.268 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -74.03 -7.32 52.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.832 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.01 24.18 53.23 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.096 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.84 136.39 53.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.667 0.27 . . . . 0.0 110.649 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 53' ' ' THR . 97.5 mt -89.66 119.23 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.359 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 16.0 mm100 -100.65 108.95 20.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.845 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.632 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 17.9 mmtt -69.67 -16.68 63.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.743 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.33 94.48 0.22 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -107.14 132.29 53.19 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.12 26.64 13.96 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.141 0.496 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -91.71 138.19 31.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.301 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 5.2 mptp? -86.82 115.68 24.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.96 0.409 . . . . 0.0 111.222 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.653 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 86.1 t -93.75 105.25 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.45 108.45 21.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 130' ' ' TYR . 10.2 tt -104.63 112.68 25.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.498 ' HB3' HG21 ' A' ' 108' ' ' VAL . 14.0 pt-20 -129.76 162.74 51.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.64 135.44 45.35 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.1 2.534 . . . . 0.0 113.613 -174.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 100.68 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.012 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.9 p -109.45 171.15 7.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 7.8 t -71.06 -30.54 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.291 0.567 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -68.9 -40.12 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.543 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -74.46 -32.8 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.756 -175.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 74' ' ' SER . 64.1 pttt -62.9 -26.68 68.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.645 0.26 . . . . 0.0 111.424 -176.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.26 67.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.109 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.76 -40.05 88.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.621 ' HE1' ' HB ' ' A' ' 153' ' ' THR . 72.1 t80 -61.08 -33.42 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.57 91.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.927 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.815 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 7.8 mmpt? -85.0 -53.53 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.385 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.08 80.85 1.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.676 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.13 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -111.51 106.61 15.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -134.8 121.49 20.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.946 -173.074 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.528 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -57.42 144.14 37.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.375 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.311 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.8 84.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.415 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.528 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 4.9 pttm -94.95 27.68 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.032 0.444 . . . . 0.0 110.958 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.524 ' HA ' HD23 ' A' ' 86' ' ' LEU . 8.1 tpt180 -72.31 107.5 4.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.719 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.39 118.98 71.07 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.831 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.75 -2.3 8.23 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.864 2.376 . . . . 0.0 113.146 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.05 -49.97 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 109.945 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.98 97.08 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.762 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -88.37 146.9 38.78 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.408 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.4 132.18 43.56 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.06 2.507 . . . . 0.0 112.426 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.36 142.92 98.01 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.139 2.559 . . . . 0.0 112.676 -178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -71.63 115.45 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.262 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.415 HD13 ' NH1' ' A' ' 104' ' ' ARG . 87.6 mt -97.2 167.62 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.576 ' OD1' ' HG3' ' A' ' 103' ' ' ARG . 12.5 t70 -72.15 140.52 82.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.999 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.71 -10.92 10.35 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.542 2.828 . . . . 0.0 114.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.576 ' HG3' ' OD1' ' A' ' 101' ' ' ASP . 78.3 mtt180 -49.95 -48.51 51.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 176.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.697 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 ptm180 -58.67 -39.54 80.95 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.921 0.391 . . . . 0.0 111.317 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -76.09 -39.06 56.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.6 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -84.83 -9.76 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.713 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.697 HG23 ' O ' ' A' ' 104' ' ' ARG . 42.9 t -69.95 118.95 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.021 0.439 . . . . 0.0 110.558 177.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.653 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.0 147.78 29.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.272 0.558 . . . . 0.0 110.962 -178.06 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.471 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -139.68 152.97 47.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.598 -176.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.7 m -96.94 115.89 28.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 p -56.59 141.39 43.39 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 112.011 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.41 168.53 8.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.575 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.37 64.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.363 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -95.35 19.91 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.541 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.495 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 56.86 60.48 8.94 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.196 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -137.32 150.47 47.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.38 135.42 42.64 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.145 0.497 . . . . 0.0 110.71 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.81 108.99 12.52 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.06 143.53 45.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.818 0.342 . . . . 0.0 111.673 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 7.8 p-10 -159.26 -174.44 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 64.2 m-70 70.4 30.72 3.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.791 0.436 . . . . 0.0 110.416 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.8 mt -121.17 127.42 26.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.399 -0.188 . . . . 0.0 111.123 -170.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.65 149.26 79.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.458 2.105 . . . . 0.0 111.256 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -68.75 150.62 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.896 -177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.08 -172.32 33.38 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.683 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.5 p -94.24 128.01 40.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.654 0.264 . . . . 0.0 110.783 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -131.09 158.84 39.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.976 0.417 . . . . 0.0 111.188 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.42 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 26.3 m-85 -111.27 128.9 56.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.043 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.406 HG23 HG11 ' A' ' 67' ' ' VAL . 52.9 mt -101.84 104.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -105.48 127.06 52.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.1 p -147.76 120.9 8.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.914 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 37.7 tt0 -90.1 91.24 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.846 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 48.5 tp -105.56 100.83 10.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.28 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 t -134.18 144.66 48.62 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.987 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.9 p90 -147.52 142.92 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.704 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.1 m -84.38 111.87 19.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.55 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -91.63 116.41 28.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.2 p -72.61 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.277 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -115.87 14.26 16.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.763 0.792 . . . . 0.0 108.911 174.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.32 -25.98 2.59 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.853 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -85.14 131.09 34.49 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -93.6 110.69 22.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.033 0.444 . . . . 0.0 110.293 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.7 pt -109.88 140.23 29.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.606 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 7.9 m -81.47 95.47 7.09 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.92 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.598 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 4.4 mt-10 -84.26 164.74 18.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.526 -177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.02 -149.36 31.05 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.777 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 147.89 -164.73 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.037 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 2.2 m -85.23 102.62 13.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.25 119.66 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.523 0.678 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.621 ' HB ' ' HE1' ' A' ' 80' ' ' TYR . 17.0 m -114.91 123.55 49.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.515 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -109.41 135.34 50.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.748 0.309 . . . . 0.0 110.433 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.9 tp -80.26 124.03 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.016 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.72 127.52 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.97 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.0 m -112.01 107.88 17.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.3 t -104.76 98.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.5 t -101.1 6.75 43.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.89 0.376 . . . . 0.0 110.8 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -141.77 157.88 26.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.471 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.7 m -87.83 35.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.046 0.45 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -119.12 154.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.061 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.524 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 34.1 Cg_exo -60.25 110.06 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.743 2.295 . . . . 0.0 112.692 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -96.96 127.2 42.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.437 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.635 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 12.0 tptt -84.51 121.56 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.835 0.35 . . . . 0.0 110.075 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.593 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 52.7 t -119.22 114.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.124 0.488 . . . . 0.0 110.882 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.13 112.29 24.1 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.499 HD21 HD12 ' A' ' 50' ' ' LEU . 22.0 tp -85.09 95.92 9.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.373 0.606 . . . . 0.0 110.1 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.402 ' HA ' HD22 ' A' ' 52' ' ' LEU . 9.6 t -155.26 169.64 23.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.727 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.133 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 112.104 -0.398 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -78.96 98.13 6.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.495 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 p -93.4 153.41 18.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -62.19 122.77 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.982 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -82.29 -25.6 33.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.511 -174.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -78.66 -31.2 46.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.364 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.1 m170 57.75 -101.5 0.13 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -149.07 -31.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 167.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -145.48 96.68 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.577 172.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -87.29 -75.67 0.39 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.117 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -94.03 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.25 0.547 . . . . 0.0 109.895 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.15 -127.2 2.2 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.597 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.53 102.09 8.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.0 t -114.79 89.96 20.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.87 -19.05 5.12 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.167 2.578 . . . . 0.0 112.631 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -93.29 104.26 16.45 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.241 0.544 . . . . 0.0 110.392 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 89.87 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.6 p -72.13 -65.28 0.79 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.775 -174.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -149.31 140.45 23.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.784 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.5 ttm -80.13 91.91 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.409 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.44 52.95 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 m -56.95 -49.77 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.65 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -139.4 100.28 7.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -92.16 22.25 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.991 2.46 . . . . 0.0 112.693 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -94.41 -79.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.646 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.4 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 16.6 m-20 46.6 49.76 13.48 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.601 0.563 . . . . 0.0 110.771 -175.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.439 HD13 ' HG2' ' A' ' 98' ' ' PRO . 91.1 mt 69.02 90.72 0.08 OUTLIER Pre-proline 0 N--CA 1.464 0.231 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.421 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.09 148.37 62.81 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.837 2.358 . . . . 0.0 111.882 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.08 105.21 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.147 0.499 . . . . 0.0 111.692 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HB2' ' HD1' ' A' ' 75' ' ' TYR . 66.2 m-85 -127.37 149.51 70.06 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 173.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.76 -169.91 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.624 2.216 . . . . 0.0 112.413 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -79.58 3.67 18.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -63.38 -41.01 98.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.225 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -68.98 -37.54 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -70.54 -32.81 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.85 -2.33 57.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.04 -4.88 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.531 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.6 p -79.09 74.54 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.339 0.59 . . . . 0.0 110.777 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -121.93 108.28 13.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.133 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -162.65 98.86 1.0 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 -177.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 t -74.31 102.64 2.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.023 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.42 146.1 17.61 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.514 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.4 44.06 1.66 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.786 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.452 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.22 104.94 1.36 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.539 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.24 105.95 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.755 HD13 HG23 ' A' ' 158' ' ' VAL . 50.5 mt -106.25 119.82 56.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.958 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.9 OUTLIER -103.96 117.45 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.994 175.037 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -115.18 123.01 5.8 Favored Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.049 -174.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.502 ' HB2' HD13 ' A' ' 167' ' ' LEU . 3.1 m-20 -110.56 112.16 23.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 25.2 tp -95.07 132.47 39.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.453 ' HE1' HD11 ' A' ' 167' ' ' LEU . 21.2 p90 -161.74 127.28 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 170.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.46 132.39 54.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.599 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 117.31 22.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.361 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 5.0 m -64.28 154.63 34.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.782 177.15 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.59 67.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.415 0.626 . . . . 0.0 109.822 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -73.68 -19.33 60.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.895 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.95 47.06 2.14 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.631 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.72 149.09 47.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -103.12 108.86 25.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 120.978 0.418 . . . . 0.0 110.613 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -105.95 117.03 32.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 33.0 mmtp -66.93 -72.15 0.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.45 97.45 0.18 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.663 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 p -105.82 135.91 46.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.12 31.37 19.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.401 HG21 ' O ' ' A' ' 134' ' ' GLU . 36.6 m -88.84 132.99 34.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.61 -174.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 133' ' ' SER . 5.9 tppt? -85.35 114.18 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.285 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -103.27 112.1 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.31 121.99 41.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.365 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.509 HD13 HG12 ' A' ' 131' ' ' ILE . 67.9 tp -117.06 114.46 23.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.43 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.485 ' HB3' HG21 ' A' ' 108' ' ' VAL . 17.1 pt-20 -142.08 154.07 64.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.834 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.3 140.07 43.46 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.791 2.327 . . . . 0.0 112.96 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.6 89.48 5.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -94.22 162.8 13.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -60.79 -23.19 64.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 0.0 111.357 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.518 ' HD1' ' HB2' ' A' ' 30' ' ' PHE . 8.8 t80 -72.38 -20.09 61.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.573 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 87.9 mmm -93.24 6.66 47.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.014 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -55.71 -58.36 8.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.36 -16.95 50.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 111.327 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.8 -45.49 71.11 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -72.04 -34.15 68.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.462 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.2 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.666 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -84.99 -25.08 27.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.95 -91.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.049 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.98 -117.6 11.86 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.953 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.2 p30 -92.72 114.12 26.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.428 0.632 . . . . 0.0 110.635 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.508 HD22 ' HA ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -142.19 132.82 25.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.598 -179.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.85 175.18 10.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.277 0.56 . . . . 0.0 111.588 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -90.94 4.7 51.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.864 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.72 10.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -98.68 23.42 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.508 ' HA ' HD22 ' A' ' 86' ' ' LEU . 23.2 tpp180 -66.32 105.99 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.714 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -91.27 119.0 68.82 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.084 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.17 1.72 8.68 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.777 2.318 . . . . 0.0 113.354 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.81 -39.05 7.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.737 0.304 . . . . 0.0 110.866 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 99.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 109.909 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.9 pt20 -103.4 139.71 20.37 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.237 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 17.2 Cg_exo -67.55 136.5 39.66 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.077 2.518 . . . . 0.0 112.204 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HG2' HD13 ' A' ' 27' ' ' LEU . 7.9 Cg_exo -71.83 144.54 43.79 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.77 2.313 . . . . 0.0 112.24 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.12 104.79 15.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.5 -165.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.012 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.623 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 27.3 t70 -60.04 137.19 90.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.424 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.81 -11.87 16.35 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.572 2.848 . . . . 0.0 114.428 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.623 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 1.7 mpp_? -60.76 -27.15 67.75 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.176 -0.328 . . . . 0.0 110.832 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 108' ' ' VAL . 73.3 mtp180 -57.3 -39.72 76.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 176.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.74 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 111.377 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m -87.52 -34.69 18.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -88.72 -29.91 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 70' ' ' GLU . 97.8 t -68.4 102.73 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.97 118.88 20.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.85 116.27 32.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.297 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.566 ' HB1' ' CZ ' ' A' ' 121' ' ' PHE . . . -113.26 132.69 55.44 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.198 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.3 m -96.06 112.06 23.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -55.43 149.72 12.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.812 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.56 -170.31 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.192 0.52 . . . . 0.0 110.15 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.36 -18.06 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.89 0.85 56.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.559 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.49 31.0 73.29 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -113.81 148.89 35.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.593 -0.304 . . . . 0.0 110.444 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.401 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 45.7 p90 -137.97 150.09 46.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.79 133.83 38.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.908 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.566 ' CZ ' ' HB1' ' A' ' 111' ' ' ALA . 66.6 m-85 -134.89 147.49 49.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -134.41 163.87 28.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 53.94 80.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.701 0.626 . . . . 0.0 110.94 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.517 HD11 ' HB3' ' A' ' 121' ' ' PHE . 64.6 mt -129.37 130.1 23.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.247 -176.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.592 ' HB2' ' OH ' ' A' ' 129' ' ' TYR . 31.6 Cg_exo -59.74 147.16 93.34 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.582 2.188 . . . . 0.0 111.245 173.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.64 129.92 36.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.09 -168.94 38.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.524 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 29.4 m -89.35 126.71 35.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.859 0.361 . . . . 0.0 110.488 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 125' ' ' PRO . 70.3 m-85 -129.22 153.15 48.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.043 0.449 . . . . 0.0 111.198 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.2 120.76 41.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.152 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.509 HG12 HD13 ' A' ' 69' ' ' LEU . 80.0 mt -103.7 106.6 20.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.091 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 m -113.59 119.25 36.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.156 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.534 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 28.1 p -111.74 133.79 53.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.46 ' HG2' HG22 ' A' ' 151' ' ' THR . 42.8 mt-10 -90.09 91.39 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.192 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -126.85 98.15 5.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.734 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' THR . . . . . 0.408 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 6.3 t -132.07 139.03 48.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.861 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.483 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.0 p90 -139.09 156.05 47.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -173.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 p -101.7 111.42 23.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.178 0.513 . . . . 0.0 109.811 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.97 141.71 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -102.68 102.43 12.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.938 0.399 . . . . 0.0 110.3 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -79.67 86.05 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.368 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.2 t0 49.64 54.4 11.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.522 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 99.29 -14.04 61.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.209 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -101.3 107.15 18.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.013 0.407 . . . . 0.0 110.239 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 8.1 m -83.48 109.79 17.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.1 pt -114.65 165.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.727 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.2 m -115.44 101.49 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.483 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.1 mt-10 -92.61 176.59 6.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.04 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.68 -152.31 38.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.784 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.408 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 140.04 -129.95 4.47 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.73 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.478 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 3.1 p -116.09 105.69 12.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.667 0.27 . . . . 0.0 110.301 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.7 135.95 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.441 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 26.2 m -115.76 128.06 55.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.627 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 169' ' ' THR . 16.3 tppt? -109.61 125.73 52.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 60.3 tp -80.67 110.63 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.81 122.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.4 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 90.7 m -109.37 109.14 19.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.755 HG23 HD13 ' A' ' 46' ' ' ILE . 37.3 t -90.91 106.23 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.181 -178.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -113.51 24.03 12.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.45 141.77 8.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.882 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.452 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.7 p -83.36 -3.4 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.473 . . . . 0.0 110.786 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . 0.476 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 75.6 mt-30 -67.87 159.91 76.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 17.4 Cg_endo -59.32 115.27 2.47 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.652 2.235 . . . . 0.0 112.174 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -95.29 136.21 35.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.546 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -109.05 102.26 11.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.6 t -111.65 111.58 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.502 HD13 ' HB2' ' A' ' 49' ' ' ASP . 4.5 mm? -84.6 107.24 16.71 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.486 ' HG ' HD12 ' A' ' 50' ' ' LEU . 30.5 tp -80.26 116.71 20.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.165 0.507 . . . . 0.0 109.652 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.444 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 14.7 t -177.49 -171.33 0.32 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.092 177.581 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -89.15 -42.48 11.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.117 0.484 . . . . 0.0 110.395 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 p -83.12 112.8 20.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -106.19 -97.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.671 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.566 ' C ' ' H ' ' A' ' 7' ' ' HIS . 36.4 m80 -138.96 143.44 38.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 71.48 -25.93 0.17 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.474 0.709 . . . . 0.0 110.447 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' H ' ' C ' ' A' ' 5' ' ' HIS . 14.6 m-70 -106.31 79.59 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -78.58 -24.3 45.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.443 -173.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -133.78 115.99 15.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -73.85 -29.97 62.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -86.71 102.51 14.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.34 177.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.98 141.35 12.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.591 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.0 -77.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.727 0.264 . . . . 0.0 110.597 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 m -141.62 90.26 8.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.471 0.653 . . . . 0.0 111.691 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -85.79 -6.89 8.61 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.64 2.227 . . . . 0.0 112.624 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.2 -18.51 20.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.15 105.25 0.33 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.289 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -71.13 -26.6 63.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -132.35 143.19 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.32 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mtp -55.65 142.88 32.24 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.791 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.04 -50.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.087 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 p -77.18 96.29 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -146.34 103.57 4.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.305 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -79.22 -11.25 14.77 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 123.074 2.516 . . . . 0.0 112.209 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.3 95.57 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.718 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 78' ' ' ALA . 19.9 m-20 -93.22 -40.35 10.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.789 172.625 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 78' ' ' ALA . 61.0 mt -80.02 112.7 32.27 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.44 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.12 143.79 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.464 2.109 . . . . 0.0 111.763 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.73 93.51 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.409 0.624 . . . . 0.0 110.992 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -130.71 132.53 24.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.215 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.52 -167.09 0.17 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.616 2.211 . . . . 0.0 113.564 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.07 12.22 6.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.216 -173.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -78.64 -25.34 45.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.753 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.649 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 40.9 tt0 -75.18 -20.6 59.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.153 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.61 -17.43 62.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.76 4.13 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.74 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 0.0 110.611 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -119.24 161.11 20.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.121 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.66 -174.41 4.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.641 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -83.55 -21.14 32.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.315 0.579 . . . . 0.0 109.79 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.53 103.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.05 46.27 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.31 21.26 1.54 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.465 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.39 95.69 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.783 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 121' ' ' PHE . 66.3 t -77.98 108.43 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.759 0.314 . . . . 0.0 110.25 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -93.44 120.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -102.48 109.38 20.99 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -110.05 128.46 8.88 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.964 -170.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.423 ' HA ' ' HG2' ' A' ' 118' ' ' ARG . 36.0 t70 -115.19 109.21 17.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.488 HD12 HD21 ' A' ' 168' ' ' LEU . 25.1 tp -98.74 130.56 45.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.519 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 50.4 p90 -162.24 131.86 4.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.814 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 152' ' ' VAL . 80.1 mt -113.59 145.7 40.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.24 0.543 . . . . 0.0 110.483 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -94.7 131.86 40.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.287 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HG ' ' HZ2' ' A' ' 137' ' ' TRP . 15.8 m -76.22 -177.84 4.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.799 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.47 -50.01 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 t -85.15 10.12 13.08 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.3 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.27 12.07 71.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.849 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 125.93 27.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -91.49 118.37 36.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.077 0.465 . . . . 0.0 111.654 -173.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -111.96 128.27 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.519 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 52.8 mmtt -69.49 -80.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.25 94.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.565 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.16 94.63 6.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.605 0.241 . . . . 0.0 111.298 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 56.34 67.18 1.03 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.484 0.659 . . . . 0.0 110.271 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m -107.73 149.37 28.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.628 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -87.26 111.56 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 111.402 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.457 ' HB ' ' HB1' ' A' ' 111' ' ' ALA . 62.0 t -98.24 105.45 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.31 122.85 40.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.848 0.356 . . . . 0.0 110.638 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.431 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 50.4 tp -105.28 99.03 8.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' HB3' HG22 ' A' ' 108' ' ' VAL . 5.0 pt-20 -110.23 145.77 32.84 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.776 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.56 138.65 38.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.001 2.467 . . . . 0.0 112.937 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' HB1' HG22 ' A' ' 128' ' ' THR . . . -72.21 94.83 1.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.249 0.547 . . . . 0.0 110.195 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.649 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 17.4 p -116.7 170.24 8.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.018 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.3 m -83.68 -31.43 26.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -63.06 -45.23 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.415 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.45 ' HE3' ' HB3' ' A' ' 76' ' ' MET . 54.8 mtp -92.8 6.33 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.767 -178.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.7 -42.25 88.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.007 0.432 . . . . 0.0 110.263 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.471 ' HB3' HD22 ' A' ' 27' ' ' LEU . . . -73.5 -26.78 61.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.067 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -68.06 -42.66 80.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.69 -34.22 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.38 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -54.75 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.328 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.502 ' HB3' ' HZ1' ' A' ' 82' ' ' LYS . 6.9 mtpm? -67.08 -44.4 80.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.55 0.214 . . . . 0.0 111.468 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.481 ' HA ' HD12 ' A' ' 86' ' ' LEU . 96.8 m-85 -104.44 -96.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.617 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 50.28 -119.02 6.59 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.428 -0.415 . . . . 0.0 112.545 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -81.23 95.26 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.499 HD23 ' HA ' ' A' ' 91' ' ' ARG . 9.8 tt -117.59 111.03 18.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.823 -171.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.459 ' O ' HD21 ' A' ' 86' ' ' LEU . 15.8 t70 -68.89 159.48 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.715 175.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.97 -29.28 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.355 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.32 -2.15 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.758 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 37.4 mtmt -103.94 4.91 35.2 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.446 -0.158 . . . . 0.0 111.037 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HA ' HD23 ' A' ' 86' ' ' LEU . 2.8 ttp180 -65.15 108.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 110.275 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -65.14 117.02 35.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.327 -178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -94.41 7.08 2.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.082 2.521 . . . . 0.0 112.854 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -119.72 -43.62 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.853 0.359 . . . . 0.0 111.26 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 118.01 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.546 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 47.8 mt-30 -86.09 161.23 50.18 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.108 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 96' ' ' GLN . 12.4 Cg_endo -57.38 115.38 2.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.343 2.029 . . . . 0.0 111.566 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.06 138.87 75.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.891 2.394 . . . . 0.0 112.671 -176.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.87 105.78 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.725 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.519 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 57.3 mt -93.19 -172.0 2.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.082 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.29 136.67 91.28 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.32 -20.9 12.24 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.56 2.84 . . . . 0.0 113.676 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -58.44 -27.51 64.42 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.519 ' HD2' ' HB2' ' A' ' 100' ' ' LEU . 3.8 ptm180 -65.29 -25.76 67.78 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.099 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.75 -16.53 62.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.606 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.9 m -98.91 -44.59 6.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.782 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.84 -32.5 63.71 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' HA ' ' O ' ' A' ' 69' ' ' LEU . 50.2 t -82.96 100.63 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.338 0.59 . . . . 0.0 109.426 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -86.18 124.89 33.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.405 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 35.0 mt-10 -102.07 133.21 47.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.458 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.457 ' HB1' ' HB ' ' A' ' 67' ' ' VAL . . . -114.19 129.5 56.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.141 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -95.4 109.09 21.31 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.7 p -64.52 151.79 43.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.322 0.582 . . . . 0.0 111.712 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -73.81 -173.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.37 -25.79 65.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.16 0.505 . . . . 0.0 110.011 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.1 10.12 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.001 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.52 36.23 90.86 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.127 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.423 ' HG2' ' HA ' ' A' ' 49' ' ' ASP . 78.2 mtt180 -119.4 167.52 11.84 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 117.391 0.596 . . . . 0.0 111.873 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -167.27 169.86 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.786 -173.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -147.13 152.99 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.536 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 49.8 m-85 -133.78 155.19 50.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -156.49 -174.48 4.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.553 173.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.0 m170 62.88 30.14 16.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.258 0.552 . . . . 0.0 110.658 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 121' ' ' PHE . 69.8 mt -109.5 122.1 40.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.716 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.69 158.8 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.439 2.093 . . . . 0.0 111.317 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.1 137.76 58.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.42 -174.91 34.19 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.035 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.2 t -111.82 135.41 52.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.166 0.508 . . . . 0.0 111.257 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -136.84 170.21 16.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.481 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -111.32 128.7 56.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.013 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.543 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.7 mt -100.17 105.24 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -105.35 127.05 52.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.385 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -137.72 119.33 14.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.828 0.347 . . . . 0.0 110.311 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.446 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 44.5 tt0 -91.15 97.38 11.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.238 0.542 . . . . 0.0 110.015 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.24 109.32 15.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.522 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.2 t -137.82 142.64 40.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.046 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.446 ' HZ2' ' HG ' ' A' ' 54' ' ' SER . 31.4 p90 -142.68 153.91 43.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.28 -177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.9 p -84.49 138.94 32.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.01 163.11 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.518 . . . . 0.0 110.777 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -104.66 115.87 31.07 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.322 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.469 ' OG ' ' HG3' ' A' ' 144' ' ' LYS . 6.8 p -107.3 81.81 1.58 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.962 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 67.76 -84.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.689 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -117.38 -4.81 15.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.075 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.469 ' HG3' ' OG ' ' A' ' 141' ' ' SER . 22.1 pttm -125.65 148.77 48.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.507 -0.408 . . . . 0.0 111.33 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.9 m -97.24 118.17 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.852 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -109.55 170.53 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 0.0 111.288 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 20.6 m -102.73 108.84 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -92.46 150.73 20.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.472 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.39 -138.43 14.09 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.369 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.27 -161.11 26.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 13.0 m -96.04 102.76 14.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.438 HG13 HD22 ' A' ' 52' ' ' LEU . 7.6 p -95.43 127.23 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.057 0.456 . . . . 0.0 110.327 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.543 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 35.8 m -132.12 117.98 19.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.928 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -109.31 148.94 30.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -84.88 111.26 19.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.904 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 131' ' ' ILE . 84.1 t -121.02 119.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 45.7 m -106.19 120.82 42.81 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.328 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.443 HG13 ' HG3' ' A' ' 164' ' ' GLN . 57.9 t -79.69 114.81 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 39.7 m -80.81 -27.01 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.101 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -173.12 -164.8 29.06 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.103 -1.046 . . . . 0.0 112.966 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 15.49 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.38 0.61 . . . . 0.0 110.396 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -91.97 165.56 19.93 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.442 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.82 110.78 1.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.4 2.067 . . . . 0.0 111.702 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . 0.443 ' HG3' HG13 ' A' ' 158' ' ' VAL . 13.7 mm100 -95.25 97.28 9.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -86.69 113.49 22.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.962 0.411 . . . . 0.0 110.408 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.5 122.95 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.663 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.68 111.29 23.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.474 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.488 HD21 HD12 ' A' ' 50' ' ' LEU . 23.7 tp -87.92 95.41 10.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.306 0.574 . . . . 0.0 109.652 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.5 t -163.27 172.01 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.292 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.543 177.296 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -112.13 86.68 2.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 m -81.46 -3.03 51.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.891 -172.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -80.42 58.55 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.434 0.635 . . . . 0.0 110.205 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -144.71 113.76 6.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.937 177.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -82.55 81.11 8.48 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.454 -173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 64.84 -78.24 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.062 0.851 . . . . 0.0 111.374 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -172.22 118.73 0.39 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -92.74 100.19 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.959 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.1 p -124.4 163.51 21.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.78 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -105.02 111.94 24.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.168 0.509 . . . . 0.0 110.955 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.05 85.56 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -90.8 117.85 29.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.75 0.31 . . . . 0.0 110.78 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 11.6 m -100.33 110.15 59.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 176.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD2' ' HA ' ' A' ' 14' ' ' VAL . 11.4 Cg_endo -55.94 -63.66 0.17 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.971 2.447 . . . . 0.0 111.817 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 107.41 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 175.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.95 4.09 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.369 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -149.87 -67.05 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.218 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 57.18 65.99 1.26 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -168.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.3 tpp -93.08 -74.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.861 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 111.728 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -80.51 140.71 35.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.405 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -127.49 133.86 25.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.12 119.36 6.48 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.659 2.24 . . . . 0.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -95.95 -2.73 46.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.276 0.56 . . . . 0.0 109.859 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.71 -49.34 48.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.858 174.149 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.42 HD13 ' HB2' ' A' ' 98' ' ' PRO . 64.8 mt -134.3 126.36 18.35 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.018 168.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 19.6 Cg_endo -58.44 -33.36 97.85 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.229 2.62 . . . . 0.0 114.355 -167.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.476 ' OD1' ' HD2' ' A' ' 31' ' ' PRO . 10.2 t0 -164.36 166.49 20.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -177.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.441 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 87.1 t80 -85.52 -54.85 0.42 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.476 ' HD2' ' OD1' ' A' ' 29' ' ' ASP . 9.5 Cg_endo -52.99 121.01 8.58 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.168 1.912 . . . . 0.0 112.917 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -116.95 24.19 11.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.664 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -61.75 -12.9 19.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -21.59 63.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 173.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 32' ' ' GLU . 34.5 m-85 -63.76 -34.37 77.74 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 173.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.42 2.48 28.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.579 -173.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -30.03 60.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.152 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 p -92.1 112.99 25.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -89.26 -174.43 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.72 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -105.07 7.3 33.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.413 0.625 . . . . 0.0 110.317 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.64 117.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.881 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.626 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 176.7 165.17 31.82 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.93 20.43 7.65 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.12 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.97 109.36 2.85 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.952 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 75.7 t -97.85 116.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.5 118.8 57.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.41 104.25 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.79 122.12 7.39 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.931 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.76 109.0 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.47 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 35.5 tp -90.51 130.42 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.487 ' HB2' HG23 ' A' ' 59' ' ' ILE . 48.6 p90 -174.96 123.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.594 0.559 . . . . 0.0 110.164 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD21 ' HB3' ' A' ' 170' ' ' ARG . 60.7 mt -108.45 153.56 23.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.443 HG22 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -107.71 122.28 46.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.913 0.387 . . . . 0.0 111.629 -177.099 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 m -69.19 150.91 46.96 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 170.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.06 66.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.3 p -76.5 1.5 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.48 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.95 56.81 2.65 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.288 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.29 125.69 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.643 0.258 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.487 HG23 ' HB2' ' A' ' 51' ' ' TYR . 21.9 mm -79.05 105.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.008 173.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -92.13 109.54 20.91 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 5.1 mmtt -63.72 -71.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.925 -170.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.79 80.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.197 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -84.44 101.47 12.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.809 0.338 . . . . 0.0 111.346 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 62.87 47.83 4.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -95.51 134.19 38.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.139 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -78.75 122.46 26.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.037 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.25 130.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.719 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.42 140.66 46.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.93 0.395 . . . . 0.0 111.078 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.11 101.24 8.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.982 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' HA ' HG21 ' A' ' 108' ' ' VAL . 42.2 mt-10 -103.68 141.84 23.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.785 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD3' HG21 ' A' ' 108' ' ' VAL . 15.3 Cg_exo -69.26 119.5 6.47 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.752 2.301 . . . . 0.0 111.89 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.6 104.41 8.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.762 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -159.19 -161.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.315 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.9 t -73.35 -165.61 0.27 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.474 0.31 . . . . 0.0 110.311 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 73.9 t80 73.23 -53.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.226 0.611 . . . . 0.0 111.279 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtp -90.24 17.23 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.414 -0.179 . . . . 0.0 111.338 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 54.7 tttm -57.36 -46.28 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.25 -15.07 51.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.152 0.501 . . . . 0.0 110.874 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CE1' ' HD2' ' A' ' 98' ' ' PRO . 42.5 t80 -71.24 -41.49 70.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.763 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -81.12 -5.84 58.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.919 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.17 -37.75 23.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.246 0.546 . . . . 0.0 109.765 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.857 ' HZ2' ' HG3' ' A' ' 98' ' ' PRO . 98.5 mttt -71.87 -48.95 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.288 175.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -103.59 -86.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.893 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.65 43.02 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -85.86 87.93 7.48 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.607 ' HG ' ' HB3' ' A' ' 90' ' ' LYS . 7.1 tt -102.46 105.0 15.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.657 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.46 162.73 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.17 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -18.78 65.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.23 -0.294 . . . . 0.0 111.337 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.64 -18.96 59.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.026 173.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.607 ' HB3' ' HG ' ' A' ' 86' ' ' LEU . 15.1 mmmt -94.01 6.55 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.162 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -73.64 85.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.842 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.477 ' HB3' HG23 ' A' ' 95' ' ' VAL . 33.2 t70 -114.3 134.46 22.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.097 -173.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 29.6 Cg_exo -62.73 -31.85 78.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.203 2.602 . . . . 0.0 113.578 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.17 -8.09 59.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.464 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.477 HG23 ' HB3' ' A' ' 92' ' ' ASP . 42.6 t -81.13 77.33 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -83.12 131.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.958 -175.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.94 120.55 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.797 2.331 . . . . 0.0 111.145 174.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.857 ' HG3' ' HZ2' ' A' ' 82' ' ' LYS . 39.3 Cg_exo -60.71 157.36 37.87 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.847 2.365 . . . . 0.0 111.984 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.16 91.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 110.433 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -86.34 158.07 19.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.167 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.01 136.55 61.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.307 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.82 -18.78 17.12 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.543 2.829 . . . . 0.0 113.87 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -57.67 -29.24 64.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.545 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.3 ptt180 -62.07 -36.78 82.71 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 -8.21 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.206 0.526 . . . . 0.0 111.041 -177.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -86.82 -39.4 15.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.898 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.66 -40.76 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.41 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.545 HG23 ' O ' ' A' ' 104' ' ' ARG . 94.2 t -69.02 121.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -102.88 146.53 28.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.78 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.92 143.75 41.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.632 ' HB1' ' HZ ' ' A' ' 121' ' ' PHE . . . -124.06 161.04 26.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.5 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.4 m -136.44 108.77 7.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.479 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 24.8 p -68.43 138.27 55.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -177.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.84 -161.02 0.67 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.87 -32.31 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.877 0.471 . . . . 0.0 111.431 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -75.91 -14.68 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.479 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.542 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 59.51 43.83 97.24 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -137.41 148.23 46.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.592 -0.358 . . . . 0.0 110.225 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.12 154.19 44.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.17 148.3 34.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.985 0.422 . . . . 0.0 110.845 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.632 ' HZ ' ' HB1' ' A' ' 111' ' ' ALA . 73.5 m-85 -136.94 153.41 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.43 173.84 11.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.789 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.626 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 13.9 m80 61.5 47.73 6.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.129 0.49 . . . . 0.0 111.436 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.467 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.7 mt -120.89 131.07 24.58 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.859 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.77 158.43 56.27 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.293 1.995 . . . . 0.0 110.968 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -85.79 143.72 28.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.173 0.511 . . . . 0.0 111.112 -176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.36 -158.74 30.16 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.799 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 p -102.58 128.72 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -132.39 149.98 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.29 120.1 40.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 153' ' ' THR . 46.0 mt -94.78 104.83 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.225 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 p -108.33 128.65 54.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 t -150.75 124.21 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.839 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.541 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 6.8 pt-20 -98.35 91.36 5.17 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.894 0.854 . . . . 0.0 111.078 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.14 99.22 9.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.329 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.4 t -120.94 138.17 54.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.012 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.451 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 48.5 p90 -133.91 151.33 51.47 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.704 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 p -97.55 121.3 39.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.853 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.07 114.11 26.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 85.4 mt-30 -81.04 92.25 6.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.189 0.519 . . . . 0.0 109.912 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.0 m -100.75 108.27 20.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.369 -175.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 65.95 14.07 9.39 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.32 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 109.55 -15.97 31.86 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.774 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -92.41 109.82 21.22 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 17.0 m -81.42 99.38 8.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.303 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.9 pt -96.17 150.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.178 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 39.8 m -107.59 102.86 12.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.08 0.466 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.451 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 42.0 mt-10 -96.77 179.3 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.382 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 78.77 -150.83 34.92 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.259 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.541 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 137.58 -162.33 25.45 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.671 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.529 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 19.9 m -86.74 102.48 14.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.8 0.333 . . . . 0.0 110.175 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.46 133.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.401 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 28.5 m -125.74 117.36 23.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.251 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.493 ' HZ2' ' HB3' ' A' ' 154' ' ' LYS . 1.9 mmmp? -109.69 127.79 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.0 103.03 11.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.419 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.92 117.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.6 m -100.79 96.72 7.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.136 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.93 104.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 p -64.39 -35.38 80.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.26 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.72 -160.08 13.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 70.2 m -81.5 60.29 4.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.821 0.819 . . . . 0.0 109.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.26 151.15 44.07 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.094 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.483 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 57.8 Cg_endo -76.51 91.4 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.102 1.868 . . . . 0.0 111.344 172.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -97.68 132.77 43.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.593 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -99.19 118.1 35.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.594 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.03 126.53 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.175 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.32 100.43 13.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.459 HD22 HD11 ' A' ' 50' ' ' LEU . 48.8 tp -80.13 85.46 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.5 t -137.14 161.09 37.08 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.758 -173.635 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.408 ' HB3' HD21 ' A' ' 52' ' ' LEU . 49.3 ttt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.219 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -72.17 -29.42 64.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -129.31 167.15 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.791 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.25 99.32 12.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.093 0.473 . . . . 0.0 110.46 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -98.37 41.76 1.12 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -68.3 -36.01 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -150.52 -54.39 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.708 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.0 159.88 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.463 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -79.72 71.2 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 171.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 m -69.43 -43.84 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.964 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -88.05 109.38 19.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 62.8 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.036 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -85.53 145.44 27.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.86 0.362 . . . . 0.0 110.488 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -88.2 137.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -89.72 178.0 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.008 2.472 . . . . 0.0 112.349 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -86.02 -37.83 18.52 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.03 -79.49 1.45 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.524 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -60.35 114.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 111.477 -176.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -167.1 154.31 8.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.161 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -122.71 178.4 5.03 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 105.23 2.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -11.19 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.313 0.577 . . . . 0.0 110.801 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -119.11 101.55 49.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.21 -6.79 15.9 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.268 . . . . 0.0 111.84 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.637 ' ND2' ' HG ' ' A' ' 27' ' ' LEU . 6.1 t30 -95.33 160.74 14.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.096 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 50.7 m-20 -89.77 -99.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.96 178.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.637 ' HG ' ' ND2' ' A' ' 25' ' ' ASN . 59.6 mt 70.36 122.75 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 O-C-N 123.854 0.721 . . . . 0.0 111.256 -175.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.489 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 26.3 Cg_exo -62.33 152.15 78.37 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.799 2.332 . . . . 0.0 112.701 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -101.84 -36.62 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.928 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.1 m-85 -72.55 -53.16 6.01 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -175.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.563 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 7.8 Cg_exo -73.31 29.14 0.3 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.92 2.413 . . . . 0.0 114.392 -171.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -76.52 -26.9 55.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.365 0.602 . . . . 0.0 110.107 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -76.49 -8.57 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.102 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.66 -13.52 62.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.599 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -66.4 -21.31 66.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.02 14.2 22.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.465 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.08 17.12 14.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 110.796 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 145.39 35.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.473 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -129.52 155.37 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.588 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.13 -30.87 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.196 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.13 117.75 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.823 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.08 112.64 0.35 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.49 -4.73 62.18 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.19 -1.005 . . . . 0.0 113.09 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.687 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -54.37 122.06 22.59 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.659 -0.305 . . . . 0.0 113.533 -174.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.66 127.79 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.916 0.388 . . . . 0.0 110.648 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.08 123.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.655 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 18.4 t-20 -135.43 109.52 8.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.456 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -151.84 171.81 31.24 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 119.149 -1.501 . . . . 0.0 114.3 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.58 145.99 36.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.32 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 26.3 tp -105.93 121.9 45.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.522 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 42.3 p90 -158.18 133.74 8.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.71 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.96 162.19 21.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.857 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 p -95.05 123.78 38.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.672 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -76.61 162.4 27.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.72 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.905 0.383 . . . . 0.0 111.546 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -77.54 -1.29 29.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.77 32.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.222 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.65 143.55 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.13 106.91 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.802 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.86 112.24 24.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.549 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 23.9 mmtp -72.9 -65.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.319 0.387 . . . . 0.0 111.39 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.81 122.62 5.12 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.895 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.454 HG21 ' HA ' ' A' ' 115' ' ' GLN . 23.8 p -115.77 143.5 45.3 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.883 -0.186 . . . . 0.0 110.505 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER 61.19 22.5 12.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.752 0.787 . . . . 0.0 109.414 -179.557 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -85.15 134.64 34.16 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.563 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -85.67 104.63 15.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.06 0.457 . . . . 0.0 111.231 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' HB ' ' HB2' ' A' ' 111' ' ' ALA . 82.7 t -85.67 107.5 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.389 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.79 115.6 28.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.9 0.381 . . . . 0.0 111.219 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.403 ' HB3' ' HB3' ' A' ' 109' ' ' ARG . 48.1 tp -93.2 107.97 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.668 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.448 ' HG2' HG22 ' A' ' 108' ' ' VAL . 33.1 mt-10 -113.56 145.05 32.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 -175.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 13.1 Cg_exo -70.2 116.15 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.619 2.212 . . . . 0.0 112.278 179.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.66 123.91 31.59 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.701 HG22 ' H ' ' A' ' 75' ' ' TYR . 13.9 t -156.12 -168.79 2.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -174.149 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.485 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 57.3 m -74.81 -11.88 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.377 . . . . 0.0 111.486 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.701 ' H ' HG22 ' A' ' 73' ' ' THR . 38.8 t80 -91.54 173.83 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.2 mmm 73.33 5.15 5.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.892 0.477 . . . . 0.0 112.036 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 74' ' ' SER . 73.5 mmtt -51.96 -70.72 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -58.02 -28.7 64.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.02 -177.287 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.37 -52.81 62.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -70.79 -28.21 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.12 63.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.404 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 43.3 mtpt -82.71 -31.53 28.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.515 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -115.99 -82.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.576 0.227 . . . . 0.0 110.907 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -115.76 8.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.181 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.571 ' HA ' ' O ' ' A' ' 151' ' ' THR . 96.1 m-20 -100.99 91.0 4.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 110.331 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.36 137.62 40.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.907 -178.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.441 ' OD2' ' HB1' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -76.47 132.86 39.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.212 173.69 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.34 67.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.158 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.441 ' HB1' ' OD2' ' A' ' 87' ' ' ASP . . . -67.56 -23.4 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -116.64 39.92 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 111.054 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 119.61 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.34 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -89.5 117.73 68.43 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -86.18 -1.63 8.59 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.797 2.331 . . . . 0.0 112.82 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.22 -43.03 5.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.0 110.348 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.62 100.55 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.48 144.54 28.97 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.049 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_exo -62.61 117.66 4.55 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.541 2.161 . . . . 0.0 111.322 174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -61.64 132.02 38.4 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.68 2.253 . . . . 0.0 112.431 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.98 89.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -81.7 -23.92 36.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.553 -177.024 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' N ' HD11 ' A' ' 100' ' ' LEU . 10.2 t70 -164.58 126.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.5 -17.52 23.59 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.897 2.398 . . . . 0.0 113.427 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -71.66 -9.9 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -57.24 -30.15 64.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.8 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -17.51 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.2 m -103.9 -28.17 11.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.021 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -88.66 -21.31 24.01 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.448 HG22 ' HG2' ' A' ' 70' ' ' GLU . 74.1 t -82.6 115.73 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.128 0.489 . . . . 0.0 110.171 177.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 69.3 ttt180 -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.679 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.08 130.79 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 0.0 111.52 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.455 ' HB3' ' CE1' ' A' ' 121' ' ' PHE . . . -116.39 113.14 22.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.926 172.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 64' ' ' ASN . 94.7 m -82.23 113.83 20.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.643 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 33.7 p -61.32 128.91 38.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.0 111.52 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.56 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 33.9 t70 -73.59 -177.42 2.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.97 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.56 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 62.0 tt0 -57.42 -29.76 64.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.773 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -82.29 -0.33 45.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.416 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.554 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 66.99 41.79 93.01 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.318 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.433 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 45.3 ttm180 -124.95 145.4 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -128.4 148.55 50.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.76 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -145.77 142.84 29.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.629 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.602 ' CB ' HD13 ' A' ' 124' ' ' ILE . 51.7 m-85 -135.19 114.0 11.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.893 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -96.11 148.55 22.57 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 58.81 86.34 0.09 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.185 0.993 . . . . 0.0 111.428 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.602 HD13 ' CB ' ' A' ' 121' ' ' PHE . 67.6 mt -129.29 133.7 25.45 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.329 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.13 129.13 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.126 1.884 . . . . 0.0 110.972 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.6 129.03 39.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.983 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.55 -164.55 38.04 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.089 -177.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -107.48 132.03 53.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -133.76 154.66 50.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.202 0.525 . . . . 0.0 111.651 -176.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.413 ' CE1' HD23 ' A' ' 155' ' ' LEU . 35.5 m-85 -102.3 141.48 35.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.944 171.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.457 HD13 HG21 ' A' ' 156' ' ' VAL . 48.2 mt -116.25 108.73 25.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.2 m -103.14 119.02 38.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.04 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -137.65 126.26 23.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.964 0.411 . . . . 0.0 110.704 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.458 ' HB3' HG22 ' A' ' 151' ' ' THR . 13.8 pt-20 -103.38 102.57 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.51 0.672 . . . . 0.0 110.536 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.2 tp -111.73 118.83 36.7 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.2 p -124.92 139.08 54.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 47.9 p90 -138.91 137.29 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.803 -179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.517 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 9.8 m -94.34 109.1 20.97 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.198 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.93 145.57 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.646 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 90.0 mt-30 -82.52 105.41 13.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.12 0.486 . . . . 0.0 110.52 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.3 t -103.88 105.34 15.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.825 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.33 16.33 9.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.658 173.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 127.42 -33.86 3.19 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.648 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -96.52 130.59 43.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 111.165 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.41 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 12.6 m -84.26 96.5 9.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 109.885 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.75 144.17 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.671 -175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' THR . . . . . 0.517 ' HA ' ' HA ' ' A' ' 138' ' ' SER . 34.0 m -94.01 101.97 14.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -83.62 178.34 8.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.547 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 111.54 -152.09 17.71 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.775 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 141.35 -161.76 26.9 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.571 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.5 p -93.24 113.19 25.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.939 0.37 . . . . 0.0 110.57 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.43 108.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.728 0.775 . . . . 0.0 109.247 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 10.9 m -105.7 110.48 22.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.507 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -112.51 137.26 50.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.413 HD23 ' CE1' ' A' ' 130' ' ' TYR . 3.2 tm? -81.79 121.45 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.395 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.457 HG21 HD13 ' A' ' 131' ' ' ILE . 92.1 t -127.05 121.71 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.141 0.496 . . . . 0.0 110.316 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.3 t -103.75 133.83 48.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.91 96.22 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.2 m -99.88 -7.91 24.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -137.46 147.88 19.49 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.427 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.687 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.2 m -75.26 -30.14 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.203 0.525 . . . . 0.0 110.304 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.3 151.25 97.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.59 125.47 18.85 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 123.022 2.482 . . . . 0.0 113.869 -171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.49 114.84 26.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.804 172.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 62.7 tttp -80.56 115.95 20.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.456 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 60.2 t -124.1 114.81 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.539 -174.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.407 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 69.9 mt -83.29 105.5 14.29 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 171.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.3 tt -81.1 93.62 6.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.826 0.822 . . . . 0.0 109.654 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.43 ' O ' HG21 ' A' ' 169' ' ' THR . 14.8 t -155.19 123.4 5.88 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.2 177.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 170' ' ' ARG . 8.5 mmm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.365 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -93.42 148.91 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.68 0.276 . . . . 0.0 110.329 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m -90.76 19.91 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.973 0.416 . . . . 0.0 110.987 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -127.01 135.59 51.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -85.5 139.48 31.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -68.8 125.61 27.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.519 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 33.4 m170 -59.67 117.59 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -174.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -88.95 -48.87 7.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -103.65 59.17 0.74 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.357 0.598 . . . . 0.0 109.844 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.519 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . 24.2 t -157.76 106.89 2.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.208 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -99.51 102.78 14.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.38 59.55 0.63 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.42 159.03 15.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.632 0.253 . . . . 0.0 110.523 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.48 78.04 63.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 0.0 111.805 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -93.35 165.44 2.4 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.223 2.615 . . . . 0.0 111.574 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -83.44 51.52 2.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.207 0.527 . . . . 0.0 110.975 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.95 13.55 64.9 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.378 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -63.74 97.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.166 0.508 . . . . 0.0 110.153 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -87.18 63.03 7.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.516 0.674 . . . . 0.0 110.538 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -146.8 130.44 16.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.02 121.12 13.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.417 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -69.21 -38.26 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.342 0.591 . . . . 0.0 109.723 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.411 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.5 t30 -149.0 100.89 3.41 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.828 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 23' ' ' ASN . 9.9 Cg_endo -52.59 -44.14 49.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.749 2.966 . . . . 0.0 113.85 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -104.79 82.87 1.94 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.201 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -82.65 -39.92 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.146 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.96 128.35 25.86 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.774 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.37 173.19 14.18 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.57 2.18 . . . . 0.0 112.171 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.12 146.98 41.2 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -72.02 116.13 45.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.996 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.525 ' HG2' ' HB2' ' A' ' 75' ' ' TYR . 32.3 Cg_exo -59.08 -42.31 52.43 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.51 2.14 . . . . 0.0 111.252 176.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 63.56 -73.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.669 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -59.11 -21.07 58.69 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.663 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 41.9 tt0 -62.65 -33.87 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.383 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.85 -44.36 90.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.203 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.46 -7.42 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.454 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.69 45.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -96.48 155.83 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.505 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 16.2 mm100 -86.03 152.38 22.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.602 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -97.28 -42.69 7.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 110.149 -178.637 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.15 120.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.73 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.434 ' HA3' ' N ' ' A' ' 125' ' ' PRO . . . -129.53 -164.84 11.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.865 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.52 -4.07 17.96 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.269 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -69.36 121.11 10.91 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.81 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.73 116.97 48.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.545 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.2 mt -109.99 110.84 33.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.577 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 15.6 m120 -102.71 104.88 15.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -103.98 141.37 15.24 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.969 -1.11 . . . . 0.0 113.461 -171.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -116.71 109.57 17.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.523 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.7 tp -88.41 127.92 35.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.475 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.485 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.9 p90 -168.79 110.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.657 0.741 . . . . 0.0 110.114 173.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.485 HD12 HD22 ' A' ' 135' ' ' LEU . 90.1 mt -99.41 115.25 28.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.277 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 125.48 30.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.92 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 19.7 m -68.66 162.37 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -14.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.066 0.46 . . . . 0.0 111.111 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -80.2 -11.81 59.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 8.69 62.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.243 -0.98 . . . . 0.0 112.331 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.39 133.96 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -95.79 112.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 0.0 111.651 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.46 112.44 24.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.812 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 39.5 mmtt -78.11 -3.29 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.65 85.02 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.151 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 115' ' ' GLN . 34.3 p -94.53 125.15 38.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.909 -0.171 . . . . 0.0 110.67 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.0 t30 62.58 35.88 14.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.799 0.809 . . . . 0.0 109.608 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -95.83 137.42 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.613 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -92.21 118.01 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.589 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.52 127.44 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.668 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.24 121.65 44.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tt -103.51 113.92 27.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.444 ' CD ' ' HH ' ' A' ' 80' ' ' TYR . 39.4 mt-10 -115.34 146.94 37.54 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.954 -174.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.97 128.06 12.78 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.47 2.113 . . . . 0.0 112.14 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.14 105.77 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.059 0.457 . . . . 0.0 110.854 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.663 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 56.5 p -103.09 -173.6 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.38 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -78.52 -21.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.364 0.602 . . . . 0.0 109.538 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.525 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 19.9 t80 -81.84 -30.85 31.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.329 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.46 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 1.5 mmt -80.29 58.83 3.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 111.288 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -123.71 -67.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.103 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -57.52 -40.2 78.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.781 -176.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.43 -46.53 89.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.882 0.372 . . . . 0.0 110.589 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.514 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 20.5 m-85 -85.1 1.09 49.38 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.63 -28.12 28.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 169.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 54.2 mttm -85.16 -62.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.48 178.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -91.65 -1.1 57.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.735 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -70.56 119.23 8.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.87 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.626 ' HA ' ' O ' ' A' ' 151' ' ' THR . 31.5 m-80 52.39 59.48 4.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.329 0.585 . . . . 0.0 111.025 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.417 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.4 tt -102.58 112.83 25.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.544 0.687 . . . . 0.0 109.748 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.648 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 13.7 t70 -65.82 158.01 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.561 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.93 -26.84 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 111.256 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.87 -11.64 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.648 ' HD3' ' H ' ' A' ' 87' ' ' ASP . 28.3 mtpp -96.88 13.12 29.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.557 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 91' ' ' ARG . 9.9 mmt180 -80.57 93.53 6.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -82.65 131.16 55.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.831 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.78 -15.99 48.87 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.995 2.463 . . . . 0.0 113.753 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -97.39 -22.6 16.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.971 0.415 . . . . 0.0 110.909 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.51 97.18 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 64.4 mt-30 -97.13 137.69 21.24 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.16 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 5.9 Cg_exo -73.03 116.45 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.69 2.26 . . . . 0.0 112.106 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.56 146.0 34.03 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.852 2.368 . . . . 0.0 112.259 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.63 121.65 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.5 mt -94.54 -169.33 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -65.59 150.82 95.62 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.702 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.52 -11.17 18.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.909 2.406 . . . . 0.0 112.765 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -39.59 90.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.476 ' O ' HG21 ' A' ' 108' ' ' VAL . 51.9 mtp85 -48.53 -49.46 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.354 174.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.3 -30.4 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -79.6 -42.19 25.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.684 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -95.06 -16.28 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -170.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 104' ' ' ARG . 69.4 t -73.6 121.93 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 0.0 110.086 176.235 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -95.94 120.72 36.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.71 128.73 47.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -123.98 144.68 49.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.8 m -108.67 111.39 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.512 HG23 ' HB3' ' A' ' 119' ' ' PHE . 36.0 p -67.4 135.41 53.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 0.0 112.193 -172.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.713 ' HB2' ' HB2' ' A' ' 118' ' ' ARG . 8.7 m-20 -66.84 170.99 5.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.464 176.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.469 ' HA ' HG23 ' A' ' 63' ' ' THR . 48.6 tt0 -70.76 -18.4 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 0.0 110.56 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -92.27 15.65 13.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.109 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.0 45.43 83.08 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.616 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.713 ' HB2' ' HB2' ' A' ' 114' ' ' ASP . 1.6 mmp_? -111.6 133.25 53.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.738 -0.231 . . . . 0.0 111.438 -175.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.512 ' HB3' HG23 ' A' ' 113' ' ' THR . 50.2 p90 -145.33 126.19 14.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -119.42 115.03 23.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.458 -168.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.545 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 60.9 m-85 -113.26 142.35 45.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.861 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.04 148.69 30.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.999 -173.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.74 63.6 1.46 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.527 0.68 . . . . 0.0 111.526 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 59.0 mt -122.15 127.09 26.06 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.516 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.505 ' HG2' ' O ' ' A' ' 39' ' ' GLN . 37.3 Cg_exo -62.56 160.14 33.41 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 112.545 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 158' ' ' VAL . 5.8 m-20 -69.99 136.7 50.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.731 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.3 -172.7 34.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.292 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -97.62 134.09 41.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -134.74 156.78 48.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.514 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -113.66 117.7 32.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.377 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.446 HD11 HG22 ' A' ' 156' ' ' VAL . 56.5 mt -97.42 107.37 19.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.424 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 10.4 t -124.13 125.71 44.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.327 -176.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 p -137.49 134.29 35.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.34 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.17 109.21 20.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.077 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.485 HD22 HD12 ' A' ' 52' ' ' LEU . 55.2 tp -132.53 111.09 10.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.711 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.487 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 38.5 p90 -146.38 175.16 10.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.489 ' HB2' HG23 ' A' ' 145' ' ' THR . 78.0 p -123.73 125.44 44.75 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.12 137.05 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.84 129.27 34.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.035 0.445 . . . . 0.0 110.395 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.3 m -124.74 71.35 1.16 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.1 t70 58.23 81.39 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.036 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.21 -45.15 3.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.128 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -89.53 123.24 33.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.999 0.4 . . . . 0.0 110.962 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.489 HG23 ' HB2' ' A' ' 138' ' ' SER . 2.8 m -99.36 96.79 7.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.952 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.9 pt -85.94 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.174 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.7 m -94.09 123.88 37.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.487 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 45.1 mt-10 -116.18 167.99 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 92.79 -161.01 25.59 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.606 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.46 -144.19 14.89 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' THR . . . . . 0.626 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 12.7 p -90.43 102.64 15.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.016 0.408 . . . . 0.0 110.394 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.2 p -91.53 121.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.142 0.496 . . . . 0.0 109.719 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 21.0 m -116.96 120.86 39.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.606 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -113.33 123.91 51.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.529 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 tp -84.15 106.48 15.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.446 HG22 HD11 ' A' ' 131' ' ' ILE . 61.6 t -105.55 120.05 55.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 22.3 m -99.31 102.49 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.162 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.499 HG21 HD12 ' A' ' 46' ' ' ILE . 41.3 t -83.99 93.36 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.9 p -108.06 23.39 14.56 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.422 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.88 158.53 31.54 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.272 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.8 p -97.64 10.91 38.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 0.0 110.93 -178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -81.91 153.66 69.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.697 174.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.88 111.65 1.27 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.451 2.101 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.2 mt-30 -105.73 120.46 41.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.849 -178.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 79.9 tttt -83.19 113.43 20.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.12 0.486 . . . . 0.0 110.302 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.447 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 77.1 t -108.96 117.27 53.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.456 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.439 HD11 ' N ' ' A' ' 167' ' ' LEU . 5.4 mp -90.86 115.68 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.523 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 17.2 tp -80.81 85.07 6.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.815 0.817 . . . . 0.0 110.023 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -152.27 160.18 43.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 113.875 -1.511 . . . . 0.0 107.626 174.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.696 -174.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.049 -0.421 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -148.45 158.76 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.756 0.312 . . . . 0.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -122.48 154.39 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -146.66 121.17 9.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.466 . . . . 0.0 111.267 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -126.0 100.13 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.906 0.384 . . . . 0.0 110.087 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -108.34 98.77 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.633 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.0 t60 60.66 91.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.223 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -113.84 163.69 14.73 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -77.71 44.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.092 0.472 . . . . 0.0 111.325 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 t -99.13 -9.8 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.105 0.479 . . . . 0.0 109.769 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 p -83.86 -44.36 14.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.562 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.58 -121.25 14.5 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.785 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD11 HG11 ' A' ' 14' ' ' VAL . 2.1 pp -107.02 7.95 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.818 0.342 . . . . 0.0 111.411 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.575 HG11 HD11 ' A' ' 13' ' ' LEU . 3.3 m -130.85 75.35 78.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.205 0.526 . . . . 0.0 111.552 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -86.56 -2.71 8.41 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.701 2.267 . . . . 0.0 112.811 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.08 36.48 3.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 111.685 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.01 -74.14 1.88 Allowed Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.247 174.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 m -51.47 135.41 27.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.03 0.532 . . . . 0.0 111.389 -176.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -76.35 -41.51 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.338 0.59 . . . . 0.0 110.004 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.2 ptp -146.11 135.94 23.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.603 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.02 89.25 5.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.149 0.499 . . . . 0.0 111.318 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 p -115.33 -76.04 0.58 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.449 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 21.1 m-20 -157.02 135.81 7.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 23' ' ' ASN . 6.3 Cg_exo -75.1 21.63 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.475 2.783 . . . . 0.0 113.898 -172.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.95 103.68 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.603 0.716 . . . . 0.0 110.529 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -98.74 -48.42 4.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.739 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -134.66 149.86 71.97 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.248 -0.887 . . . . 0.0 108.865 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.93 -175.28 0.91 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.634 2.223 . . . . 0.0 112.992 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.646 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 30.6 t70 -51.8 137.61 25.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.599 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 12.5 p90 -97.38 106.52 32.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -172.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.646 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 51.6 Cg_endo -100.72 114.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.351 0 C-N-CA 123.623 2.882 . . . . 0.0 111.761 170.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.25 12.89 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.01 0.433 . . . . 0.0 110.858 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.408 ' H ' ' C ' ' A' ' 31' ' ' PRO . 4.9 m80 -57.8 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.049 176.615 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' 73' ' ' THR . 28.3 mt-10 -65.37 -21.15 66.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.067 -173.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -73.87 -19.17 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.593 0.235 . . . . 0.0 111.35 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.38 -4.72 26.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -15.02 62.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.584 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 4.8 p -78.5 -24.74 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.525 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 58.2 -98.91 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.419 ' HG2' ' HE1' ' A' ' 123' ' ' HIS . 47.2 tt0 -179.52 -52.52 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.192 0.52 . . . . 0.0 110.522 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 7.2 p -63.22 134.63 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.349 -176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.41 158.47 21.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.849 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.02 7.55 10.03 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.496 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.16 117.75 7.56 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.121 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.08 122.17 60.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -107.04 121.43 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.372 . . . . 0.0 110.479 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.49 101.95 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -108.96 132.42 11.08 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.227 -173.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -120.85 114.24 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 57.9 tp -94.47 128.33 40.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -171.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.598 ' HH ' HD12 ' A' ' 167' ' ' LEU . 24.3 p90 -166.38 115.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.357 0.599 . . . . 0.0 110.532 173.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 169' ' ' THR . 90.0 mt -99.36 133.07 44.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.045 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.667 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.498 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 0.8 OUTLIER -65.08 163.34 15.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.392 176.475 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.37 -25.49 66.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.25 0.547 . . . . 0.0 109.901 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.13 -5.5 58.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.333 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.52 19.75 77.96 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.979 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.2 mt 61.75 99.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.437 0.637 . . . . 0.0 111.385 -178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -97.84 127.62 43.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.186 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.525 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 57.5 mmtt -74.29 -71.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.371 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.4 93.52 0.37 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.783 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.81 115.8 28.45 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.578 0.228 . . . . 0.0 110.961 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 62.56 33.66 15.73 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.282 0.563 . . . . 0.0 110.664 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -91.27 145.17 24.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.158 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -96.29 121.52 38.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.83 119.57 51.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.429 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.37 138.7 38.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 129' ' ' TYR . 58.6 tp -111.29 104.64 13.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.838 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.522 ' HB2' ' HB2' ' A' ' 130' ' ' TYR . 21.6 mm-40 -97.7 144.75 28.53 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.536 -176.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 6.0 Cg_exo -78.6 129.79 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.056 2.504 . . . . 0.0 111.506 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.542 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . . . -67.81 107.59 2.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.126 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.423 HG21 ' HB2' ' A' ' 34' ' ' GLU . 71.7 p -126.75 154.92 43.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.543 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 29.4 m -75.85 -23.73 55.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.429 0.633 . . . . 0.0 109.62 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.626 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 27.4 t80 -61.1 -38.02 84.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.732 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.533 ' HG2' ' HB3' ' A' ' 79' ' ' TYR . 9.9 ttt -87.18 24.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.828 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.543 ' HB2' ' O ' ' A' ' 74' ' ' SER . 31.5 tptt -58.88 -58.37 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.094 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.28 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.779 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.533 ' HB3' ' HG2' ' A' ' 76' ' ' MET . 20.1 t80 -69.03 -37.87 78.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -76.2 -26.41 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.227 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.35 -51.85 13.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.551 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 20.4 mtpt -81.73 -36.44 28.6 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -104.58 -96.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.388 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.73 -116.88 5.28 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.224 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.538 ' H ' HD21 ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.75 84.21 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.273 1.035 . . . . 0.0 110.055 175.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.786 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.0 tt -104.33 113.68 27.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.288 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.966 172.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.72 -18.8 64.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.928 0.394 . . . . 0.0 110.769 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 -17.02 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.672 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.786 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 pttm -120.38 29.38 7.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.343 0.592 . . . . 0.0 110.384 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.429 ' HA ' HD23 ' A' ' 86' ' ' LEU . 14.2 tpt180 -69.52 106.42 2.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.683 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.94 115.2 9.67 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.956 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -86.89 19.66 1.35 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.763 2.309 . . . . 0.0 113.144 -173.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.09 -57.9 2.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.882 0.372 . . . . 0.0 110.631 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.87 116.02 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.676 0.75 . . . . 0.0 111.758 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -95.3 162.3 25.14 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.709 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.74 114.12 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.515 2.143 . . . . 0.0 112.499 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.46 170.72 14.31 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 112.382 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -77.1 81.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.389 0.614 . . . . 0.0 110.098 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.908 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . 30.2 mt -64.14 151.74 42.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.605 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.8 m-20 -55.7 138.75 69.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.66 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -59.89 -11.63 15.78 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.833 3.022 . . . . 0.0 113.568 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.522 ' HD2' ' HE2' ' A' ' 107' ' ' TYR . 16.8 tpp180 -55.92 -40.99 73.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.101 0.477 . . . . 0.0 110.511 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.908 ' HE ' ' HB2' ' A' ' 100' ' ' LEU . 34.9 ptt85 -65.95 -33.31 75.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.5 m -91.25 -48.46 6.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.956 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.522 ' HE2' ' HD2' ' A' ' 103' ' ' ARG . 97.1 m-85 -85.5 -26.75 26.07 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 54.7 t -68.95 118.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -108.7 125.33 51.78 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.263 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.23 148.42 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.09 124.82 31.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.3 m -82.34 120.1 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 32.7 p -63.42 135.91 57.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.542 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 14.2 t70 -68.19 173.28 4.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.231 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.45 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 6.5 tp-100 -49.23 -38.8 27.67 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.183 0.993 . . . . 0.0 112.958 -175.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.493 HD22 ' HB2' ' A' ' 118' ' ' ARG . 2.2 p-10 -87.99 8.62 25.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.289 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.413 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 74.9 51.01 8.13 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.007 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.493 ' HB2' HD22 ' A' ' 116' ' ' ASN . 39.7 ttm180 -131.84 147.64 52.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.508 -0.407 . . . . 0.0 110.765 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -144.59 148.92 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.74 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.41 141.67 49.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.523 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 78.2 m-85 -129.31 148.36 51.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.454 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.09 171.29 17.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.419 ' HE1' ' HG2' ' A' ' 40' ' ' GLN . 28.7 t-80 60.21 47.47 9.24 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.785 0.678 . . . . 0.0 110.3 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.467 HD13 ' HB3' ' A' ' 121' ' ' PHE . 61.1 mt -116.79 132.84 23.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.928 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.517 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.7 Cg_exo -68.55 162.94 38.75 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.961 2.441 . . . . 0.0 111.601 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -81.54 144.81 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 0.0 111.029 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.41 -175.67 29.36 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.982 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.579 HG23 ' HB ' ' A' ' 157' ' ' THR . 13.6 p -93.56 127.24 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' HB3' HD12 ' A' ' 69' ' ' LEU . 93.5 m-85 -124.98 155.92 38.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.542 ' CE2' ' HA ' ' A' ' 72' ' ' ALA . 46.9 m-85 -101.24 108.17 19.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.174 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.495 HD13 HG23 ' A' ' 156' ' ' VAL . 10.8 mt -94.29 109.59 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.2 t -113.03 126.69 55.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.199 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -130.46 120.06 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.961 0.41 . . . . 0.0 110.348 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -93.32 101.9 14.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.388 0.613 . . . . 0.0 110.191 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.3 tp -119.15 101.37 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.736 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -115.07 122.76 47.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.454 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.554 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 43.0 p90 -127.15 171.53 11.33 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.685 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 p -120.35 114.65 22.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.655 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.27 149.21 36.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.345 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -88.33 107.92 19.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.085 0.469 . . . . 0.0 110.963 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.9 t -89.41 80.87 6.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.2 t70 67.35 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.119 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -127.32 -1.69 6.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.164 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -108.58 117.79 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.628 0.252 . . . . 0.0 110.657 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 42.3 m -80.57 99.49 8.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.974 0.416 . . . . 0.0 109.885 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 pt -92.85 157.44 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.734 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.6 m -104.2 101.2 10.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.032 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.554 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.5 mt-10 -88.31 162.95 16.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 101.5 -144.04 16.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.36 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.93 -149.42 20.42 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.5 m -108.1 102.58 11.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.905 0.383 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.8 p -94.46 116.19 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.391 0.615 . . . . 0.0 110.051 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 58.3 m -118.04 121.82 41.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.495 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.475 ' HE2' ' O ' ' A' ' 169' ' ' THR . 60.3 mttm -109.35 140.9 42.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.492 HD12 ' HB ' ' A' ' 128' ' ' THR . 59.4 tp -82.42 97.33 8.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . 0.495 HG23 HD13 ' A' ' 131' ' ' ILE . 89.7 t -97.39 109.82 24.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.419 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . 0.579 ' HB ' HG23 ' A' ' 128' ' ' THR . 3.2 t -95.88 105.82 17.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.769 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.15 84.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 38.6 t -73.53 -34.04 65.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.843 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.09 157.21 17.58 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.455 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.99 13.91 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.983 0.421 . . . . 0.0 111.679 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -87.45 160.9 47.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.2 111.89 1.0 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.55 2.167 . . . . 0.0 112.326 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -94.93 107.46 19.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.527 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -84.67 119.9 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.455 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 55.4 t -121.92 114.63 43.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 -176.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.598 HD12 ' HH ' ' A' ' 51' ' ' TYR . 94.3 mt -81.58 109.63 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.55 93.88 6.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.534 0.683 . . . . 0.0 109.527 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.502 ' HA ' HD21 ' A' ' 52' ' ' LEU . 12.4 t -153.82 -152.7 0.43 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.305 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 47.9 mtm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.836 175.042 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.634 -0.587 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -63.89 -64.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t -177.79 167.89 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -106.81 -2.49 21.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -99.14 125.4 44.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.276 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -140.37 -79.81 0.28 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.024 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -172.96 95.91 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -82.67 118.94 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.121 0.486 . . . . 0.0 111.342 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -119.87 -18.69 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.867 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -56.26 114.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.692 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -134.09 88.63 2.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.881 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.84 150.95 20.95 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.976 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -77.27 -52.23 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.71 99.23 47.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.692 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.79 -19.1 7.49 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.763 2.309 . . . . 0.0 113.624 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 16' ' ' ARG . 6.8 ptt180 -132.8 154.98 49.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.523 . . . . 0.0 111.606 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.47 -33.25 1.45 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -175.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m 59.68 -86.15 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.56 0.744 . . . . 0.0 112.222 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -136.56 -36.35 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 110.462 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.2 ttp -149.56 118.68 6.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.009 0.433 . . . . 0.0 110.405 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 -157.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.215 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p 57.37 -162.1 0.21 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.908 0.883 . . . . 0.0 112.165 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -94.81 143.42 26.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.221 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.25 -34.12 78.24 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.969 2.446 . . . . 0.0 113.675 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -126.35 152.51 46.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.264 0.554 . . . . 0.0 111.251 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -102.66 97.29 7.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.253 -176.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 82.8 mt 71.05 172.09 0.1 Allowed Pre-proline 0 N--CA 1.471 0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.308 174.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.506 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 15.6 Cg_exo -66.64 -76.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.28 1.987 . . . . 0.0 113.724 -173.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -168.71 -168.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 56.99 81.32 0.26 Allowed Pre-proline 0 N--CA 1.466 0.332 0 C-N-CA 123.273 0.629 . . . . 0.0 111.268 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 33' ' ' HIS . 12.7 Cg_exo -69.15 82.46 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.011 2.474 . . . . 0.0 113.152 -175.213 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 68.69 -24.14 0.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.4 ' H ' ' C ' ' A' ' 31' ' ' PRO . 17.4 t-80 -57.49 -23.74 51.79 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.668 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 54.4 tt0 -62.03 -28.0 69.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 111.114 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.416 ' HH ' ' HD2' ' A' ' 75' ' ' TYR . 76.6 m-85 -79.82 -7.67 58.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.425 -177.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.53 -2.69 58.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.62 3.47 29.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 111.455 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m -86.27 84.4 7.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.944 0.402 . . . . 0.0 111.313 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -149.6 110.98 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.543 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 178.03 110.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 123.526 0.517 . . . . 0.0 110.27 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.38 138.26 23.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -126.38 -174.23 13.79 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.018 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 20.69 2.54 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.49 114.65 3.98 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.617 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.516 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 21.9 t -92.14 115.4 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.402 HD12 HG23 ' A' ' 158' ' ' VAL . 28.6 mt -116.06 111.73 36.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.26 -176.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.59 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 13.0 m120 -102.35 118.93 37.92 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -103.1 119.81 6.55 Favored Glycine 0 C--N 1.315 -0.589 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.671 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' HB3' ' HG ' ' A' ' 167' ' ' LEU . 1.0 OUTLIER -96.65 108.9 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.109 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 HD12 HD21 ' A' ' 168' ' ' LEU . 45.3 tp -93.33 134.76 35.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.112 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -176.06 121.82 0.17 Allowed 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.953 0.783 . . . . 0.0 109.956 169.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.464 HD11 HD22 ' A' ' 135' ' ' LEU . 78.0 mt -109.22 119.46 39.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.231 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -78.78 126.26 30.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -70.83 165.23 23.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -14.69 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 111.426 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.5 m -88.46 0.83 55.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.89 85.55 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.24 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.46 138.13 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -95.83 113.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -176.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -90.04 96.81 10.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.509 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 4.7 tmtt? -63.87 -29.85 71.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.919 -172.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.01 101.31 0.65 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.182 -1.008 . . . . 0.0 111.597 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 118.33 36.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.692 -0.299 . . . . 0.0 110.333 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 57.97 38.74 26.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.659 0.599 . . . . 0.0 111.114 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.7 m -83.41 137.83 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -91.58 120.93 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.882 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.8 142.78 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.208 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.67 120.34 39.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.827 0.346 . . . . 0.0 110.316 177.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -104.09 104.13 14.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.976 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.469 ' HG2' HG22 ' A' ' 108' ' ' VAL . 49.4 mt-10 -104.28 139.23 19.9 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' HG2' ' HB3' ' A' ' 107' ' ' TYR . 23.7 Cg_exo -65.01 120.04 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.22 1.946 . . . . 0.0 110.944 173.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.32 103.23 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.884 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.668 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 33.1 p -104.61 164.08 12.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.743 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -68.94 -28.73 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.54 0.686 . . . . 0.0 109.355 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.416 ' HD2' ' HH ' ' A' ' 35' ' ' TYR . 41.8 t80 -61.52 -31.27 71.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.225 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 96.6 mmm -96.34 3.48 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.41 -43.94 92.94 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' HB2' ' HG3' ' A' ' 28' ' ' PRO . . . -72.95 -25.29 60.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.238 0.542 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -76.74 -40.64 47.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.59 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.769 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.56 94.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.919 0.39 . . . . 0.0 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -85.22 -57.62 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.742 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -98.52 7.65 45.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.163 -168.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.98 -58.74 10.74 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.372 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -133.95 94.41 3.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 0.0 109.989 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 6.3 tt -124.61 119.27 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.444 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.2 150.14 49.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.782 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.28 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -21.48 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.246 0.546 . . . . 0.0 109.999 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 14.2 mmmm -88.68 -2.74 58.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.255 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -68.83 94.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.507 ' HB3' HG22 ' A' ' 95' ' ' VAL . 11.3 t70 -104.25 136.19 19.22 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.018 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.77 -19.26 30.24 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.169 2.579 . . . . 0.0 113.473 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.86 -27.97 60.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.284 0.564 . . . . 0.0 110.361 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.507 HG22 ' HB3' ' A' ' 92' ' ' ASP . 14.9 t -82.87 73.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.152 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -91.78 142.4 26.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.566 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -74.97 115.25 4.23 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.884 2.389 . . . . 0.0 111.921 177.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo -68.49 157.08 63.32 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.732 2.288 . . . . 0.0 111.77 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.63 110.23 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.012 0.434 . . . . 0.0 110.449 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.28 -162.64 0.96 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.52 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 21.2 t70 -70.63 131.09 88.17 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.492 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.86 -24.66 60.86 Favored 'Trans proline' 0 N--CA 1.473 0.319 0 C-N-CA 123.28 2.654 . . . . 0.0 113.636 -176.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.52 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 68.0 mtm180 -68.88 -13.44 62.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -55.87 -34.34 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -23.52 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.369 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 m -92.67 -32.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.505 ' HB3' ' HG2' ' A' ' 71' ' ' PRO . 26.6 m-85 -83.93 -38.24 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.945 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.469 HG22 ' HG2' ' A' ' 70' ' ' GLU . 98.1 t -68.89 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.042 0.449 . . . . 0.0 110.166 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -87.71 127.09 35.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.182 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.68 130.31 48.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.14 157.23 43.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.726 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.8 m -126.21 120.29 29.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.717 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.497 HG23 ' HD1' ' A' ' 119' ' ' PHE . 70.1 p -58.94 133.73 56.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.42 -177.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -70.22 -179.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.61 -24.85 58.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -86.67 4.1 41.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.057 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.509 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 66.8 42.87 92.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.357 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.2 ttp85 -137.36 145.06 42.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.497 ' HD1' HG23 ' A' ' 113' ' ' THR . 14.5 p90 -123.23 123.92 41.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.005 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -111.87 127.51 55.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.42 ' CE2' ' HD2' ' A' ' 119' ' ' PHE . 92.5 m-85 -116.36 153.08 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.352 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -162.18 -177.91 6.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 173.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 77.9 m-70 63.72 28.69 14.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -174.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.507 ' C ' ' HA3' ' A' ' 42' ' ' GLY . 67.1 mt -109.61 134.54 20.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.644 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.31 178.45 5.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.768 2.312 . . . . 0.0 112.019 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -91.81 141.09 29.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.43 -167.46 35.09 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.965 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.4 p -97.27 134.8 40.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.574 0.226 . . . . 0.0 110.891 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -134.67 149.8 50.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.442 ' CE1' HD13 ' A' ' 155' ' ' LEU . 32.0 m-85 -103.13 121.53 42.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.883 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.617 ' O ' ' HA ' ' A' ' 153' ' ' THR . 74.2 mt -97.49 104.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.0 m -111.88 142.64 44.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.09 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.411 ' OG ' HD23 ' A' ' 168' ' ' LEU . 18.2 p -157.18 143.1 17.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -109.92 105.62 14.86 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.307 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 52' ' ' LEU . 48.1 tp -125.83 111.84 15.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.1 p -121.37 137.47 54.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.201 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.475 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.2 p90 -133.59 155.14 50.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.271 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.408 ' HB2' HG23 ' A' ' 145' ' ' THR . 8.8 p -98.3 123.61 42.48 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -81.1 119.12 23.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.417 0.627 . . . . 0.0 110.305 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.5 m -106.25 -146.55 0.39 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.155 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.79 84.74 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.878 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.05 -12.31 54.35 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.27 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -125.8 142.62 51.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.981 0.39 . . . . 0.0 110.646 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' THR . . . . . 0.408 HG23 ' HB2' ' A' ' 138' ' ' SER . 24.3 m -100.06 106.95 18.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.7 pt -94.89 171.55 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.4 m -117.52 120.68 38.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.475 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 35.0 mt-10 -103.76 168.6 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 94.3 -162.36 24.7 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.276 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.438 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 148.4 -149.31 21.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.8 m -96.1 108.89 21.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 0.0 110.333 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.82 137.62 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.288 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 42.8 m -136.42 129.12 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.435 ' HE2' ' O ' ' A' ' 169' ' ' THR . 54.6 mttm -109.5 134.02 52.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.442 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.2 tp -87.03 105.29 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 47.3 t -104.94 115.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.685 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.5 m -93.21 99.79 12.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.958 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.402 HG23 HD12 ' A' ' 46' ' ' ILE . 40.6 t -89.09 92.87 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.197 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.0 t -110.4 29.0 8.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.403 0.62 . . . . 0.0 109.841 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -150.06 137.04 5.96 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.405 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.5 m -96.52 63.93 2.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.348 0.594 . . . . 0.0 111.145 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.24 165.78 16.86 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.566 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.516 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 27.3 Cg_exo -63.14 109.99 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.774 2.316 . . . . 0.0 112.21 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -118.93 125.37 49.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.61 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . 0.59 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 31.9 ttpt -94.56 116.88 29.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.299 0.571 . . . . 0.0 110.365 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.451 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.7 t -105.48 111.76 36.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.15 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . 0.542 HD12 ' HE3' ' A' ' 165' ' ' LYS . 9.0 mp -79.15 113.8 17.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.139 0.495 . . . . 0.0 110.586 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.496 HD21 HD12 ' A' ' 50' ' ' LEU . 31.2 tp -81.11 100.67 9.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.822 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.443 ' HA ' HD21 ' A' ' 52' ' ' LEU . 13.0 t -163.53 -169.95 2.09 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.505 ' HG2' ' OXT' ' A' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.724 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -97.93 104.6 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -127.96 -173.34 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.981 0.42 . . . . 0.0 111.237 -174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -80.48 -159.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -66.71 89.19 0.15 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.862 0.839 . . . . 0.0 109.43 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -81.74 84.07 6.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.721 -171.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -160.49 75.48 0.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.202 172.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -115.01 135.05 54.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.648 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -66.66 124.31 22.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.311 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t 63.4 -172.56 0.17 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.566 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 t -100.7 120.79 40.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.884 0.373 . . . . 0.0 110.08 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.71 47.95 0.99 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.957 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.5 mt -90.37 83.65 5.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.935 0.398 . . . . 0.0 110.373 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -122.29 100.47 42.08 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 121.23 0.538 . . . . 0.0 110.623 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.21 106.48 2.17 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.907 2.405 . . . . 0.0 112.033 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -163.51 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.739 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.5 38.22 25.3 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.602 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -74.8 -32.06 61.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.87 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.2 m170 69.92 168.14 0.3 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.097 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 tpt -98.07 86.14 3.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.627 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.49 117.05 33.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.767 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -170.53 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.008 0.432 . . . . 0.0 110.673 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -137.94 151.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.7 -18.52 58.75 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.732 2.288 . . . . 0.0 111.936 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 75.71 -56.1 0.6 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.726 0.81 . . . . 0.0 111.9 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.75 91.84 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.739 0.781 . . . . 0.0 112.528 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt -136.19 130.38 18.29 Favored Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.516 -1.22 . . . . 0.0 107.871 166.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 57.8 Cg_exo -40.61 106.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.607 2.872 . . . . 0.0 113.783 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -85.13 -42.95 14.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.442 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.703 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 87.4 m-85 -76.12 -52.79 2.41 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.375 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.703 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 22.3 Cg_exo -65.5 123.28 11.21 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 0.0 111.434 176.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -172.11 -47.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.568 -173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -11.1 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.106 -170.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.32 -27.3 65.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -67.64 -30.19 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.46 -13.61 56.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.97 0.414 . . . . 0.0 110.705 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.69 26.95 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -80.36 148.69 30.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -101.88 142.15 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 111.202 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -103.6 -6.04 22.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.44 138.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.755 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.619 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -179.51 158.76 22.89 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.69 -1.73 22.8 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.952 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -59.46 132.4 51.72 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.208 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.1 t -119.84 120.3 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.7 mt -108.96 123.12 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.97 0.414 . . . . 0.0 110.719 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -113.46 104.87 12.71 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -114.38 140.23 16.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.678 -172.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -115.74 114.8 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 35.6 tp -93.16 115.26 27.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.73 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -159.65 118.5 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.825 172.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 169' ' ' THR . 80.7 mt -99.02 122.17 41.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.297 -174.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -74.51 125.16 27.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.339 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -80.77 171.06 15.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.957 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.73 63.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.284 0.564 . . . . 0.0 110.386 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 p -87.72 -9.28 54.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.588 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 9.15 86.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.153 -176.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.598 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -60.64 -47.57 85.63 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.598 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 67.8 mt 77.92 127.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.708 0.63 . . . . 0.0 111.539 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 20.1 mm-40 -120.94 123.19 41.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.951 173.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.597 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 25.0 mmtt -65.7 -78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.733 0.302 . . . . 0.0 111.667 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.07 73.51 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.338 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.513 HG22 ' HA ' ' A' ' 115' ' ' GLN . 2.1 p -85.81 104.99 16.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.563 -176.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.61 71.38 0.5 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.48 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.492 HG21 ' HB2' ' A' ' 135' ' ' LEU . 15.2 m -129.84 150.55 51.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.888 -173.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 133' ' ' SER . 33.1 mttm -79.69 111.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.986 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.514 ' HB ' ' HB2' ' A' ' 111' ' ' ALA . 89.8 t -105.76 100.01 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 168.317 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.31 119.17 32.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.482 HD13 HG12 ' A' ' 131' ' ' ILE . 66.2 tp -107.26 111.18 23.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.274 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' HB3' HG21 ' A' ' 108' ' ' VAL . 13.7 pt-20 -130.2 146.31 61.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.906 0.384 . . . . 0.0 110.923 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.88 141.43 58.82 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.069 2.513 . . . . 0.0 112.544 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 99.95 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.295 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.0 p -102.82 168.24 9.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.451 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 8.4 m -74.17 -30.06 62.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 77.4 t80 -68.24 -41.78 80.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.795 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.585 ' HE1' ' CD1' ' A' ' 79' ' ' TYR . 3.3 tpt -86.6 -7.42 58.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.835 -176.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.39 -41.79 80.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.85 59.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.201 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.585 ' CD1' ' HE1' ' A' ' 76' ' ' MET . 53.5 t80 -69.75 -46.45 65.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -73.8 -9.89 59.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.327 0.584 . . . . 0.0 109.817 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.26 -55.82 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.076 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.2 -101.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.502 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.86 -114.28 6.17 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.987 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.23 96.6 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.526 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 7.9 tt -124.89 106.25 9.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.135 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.509 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 15.6 t70 -67.49 163.0 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.729 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.35 64.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.691 175.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.72 60.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.096 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 51.1 mtpt -102.76 8.86 39.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.0 109.975 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.514 ' HA ' HD21 ' A' ' 86' ' ' LEU . 27.7 tpt180 -69.27 112.27 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.141 -174.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 12.2 t70 -118.3 123.01 29.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 97.5 Cg_endo -93.42 5.07 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.174 2.583 . . . . 0.0 113.778 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -100.6 -39.05 8.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.285 -0.26 . . . . 0.0 110.827 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.39 106.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 0.0 110.537 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 52.8 mt-30 -84.1 139.23 39.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.74 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 19.6 Cg_exo -66.49 114.22 3.0 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 110.657 172.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.72 159.99 26.49 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.859 2.372 . . . . 0.0 112.814 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.43 110.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.033 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.43 HD23 ' HE3' ' A' ' 76' ' ' MET . 0.8 OUTLIER -127.98 -172.66 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.681 -179.599 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.46 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.6 t70 -64.03 129.31 93.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.382 -174.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -79.26 -16.8 12.02 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.893 2.395 . . . . 0.0 113.674 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -67.34 -15.47 63.71 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.546 0.212 . . . . 0.0 111.514 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.46 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.1 ptm85 -61.95 -22.9 66.02 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.787 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.27 70.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.008 0.432 . . . . 0.0 110.427 176.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -95.9 -31.23 13.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.919 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -75.21 -41.5 57.57 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -177.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 104' ' ' ARG . 52.2 t -74.27 119.16 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.31 124.2 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.983 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.36 124.82 47.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.858 0.361 . . . . 0.0 110.649 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.514 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . . . -111.15 109.35 19.37 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.965 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 m -82.5 101.31 10.62 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.408 HG23 ' HB3' ' A' ' 119' ' ' PHE . 12.3 p -60.29 128.01 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.748 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -66.9 171.68 5.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 0.0 109.65 174.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.513 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.3 mt-30 -57.18 -18.25 14.72 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.441 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -65.01 -30.97 71.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 111.029 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.77 6.97 75.59 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -100.56 146.32 27.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.775 0.322 . . . . 0.0 110.924 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' PHE . . . . . 0.408 ' HB3' HG23 ' A' ' 113' ' ' THR . 51.7 p90 -140.93 140.94 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.0 147.74 50.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.703 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.539 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 57.3 m-85 -141.15 150.17 42.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 176.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.401 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 2.8 p30 -150.09 -177.14 5.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.619 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 63.37 35.94 11.89 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 123.47 0.481 . . . . 0.0 109.81 -174.786 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.41 119.21 63.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.267 -175.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.62 131.69 26.78 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.14 1.894 . . . . 0.0 110.249 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -63.79 130.06 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.409 0.623 . . . . 0.0 111.364 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 -166.33 39.48 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.912 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.5 p -97.39 125.55 42.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.573 0.225 . . . . 0.0 111.239 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -130.83 148.37 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 111.338 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.416 ' CE1' HD11 ' A' ' 155' ' ' LEU . 44.5 m-85 -101.41 120.63 40.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.003 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.482 HG12 HD13 ' A' ' 69' ' ' LEU . 69.1 mt -95.92 104.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 t -111.52 113.76 26.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.435 -176.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 15.1 p -115.81 130.49 56.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -99.54 100.62 11.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.138 0.494 . . . . 0.0 110.118 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.492 ' HB2' HG21 ' A' ' 65' ' ' THR . 59.8 tp -140.13 107.66 5.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.854 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.2 t -126.46 137.28 53.38 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.9 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.524 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -132.14 170.98 14.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.589 -175.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 p -123.12 125.31 44.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.639 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.06 151.69 30.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.71 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -109.42 117.73 34.78 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.23 0.538 . . . . 0.0 111.571 -173.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' SER . . . . . 0.439 ' HB3' ' HB2' ' A' ' 144' ' ' LYS . 6.7 t -103.64 -173.99 2.44 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 171.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.73 98.25 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.492 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 81.93 -3.06 81.79 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.743 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.439 ' HB2' ' HB3' ' A' ' 141' ' ' SER . 74.5 mmtt -127.06 108.52 11.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 47.2 m -91.13 102.19 14.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.3 pt -91.76 137.99 20.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.041 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.1 m -107.05 111.96 24.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.971 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . 0.524 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 36.8 mt-10 -105.42 177.82 4.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.455 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.35 -136.96 16.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.299 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.68 -125.4 6.0 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.5 m -120.81 105.1 10.4 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.087 0.47 . . . . 0.0 109.77 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.4 p -102.19 128.56 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.051 0.453 . . . . 0.0 110.512 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 32.0 m -119.09 121.22 39.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -109.48 119.73 40.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.416 HD11 ' CE1' ' A' ' 130' ' ' TYR . 56.5 tp -80.64 111.67 17.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.208 0.528 . . . . 0.0 110.318 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.9 129.97 63.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.02 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.4 t -107.98 91.83 3.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.769 0.795 . . . . 0.0 110.249 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.24 98.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.1 m -96.71 -12.33 23.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -135.29 163.31 24.89 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.674 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' SER . . . . . 0.455 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.4 m -87.28 15.9 5.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.302 0.572 . . . . 0.0 110.957 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -84.39 156.64 62.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.998 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.13 111.95 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.856 2.371 . . . . 0.0 112.794 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -97.13 106.93 19.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -85.51 118.93 25.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.906 0.384 . . . . 0.0 110.108 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' VAL . . . . . 0.426 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 83.9 t -114.93 114.94 47.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.086 -176.6 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.34 106.47 18.47 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.486 HD22 HD12 ' A' ' 50' ' ' LEU . 14.3 tp -87.89 92.87 9.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' THR . . . . . 0.504 ' HA ' HD22 ' A' ' 52' ' ' LEU . 5.5 t -141.93 167.95 20.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.9 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . 0.436 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 6.4 ptm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.828 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 2.1 tt . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 119.798 -0.144 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.694 ' HB3' ' HA ' ' A' ' 75' ' ' TYR . 95.0 Cg_endo -84.69 149.27 11.22 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.908 1.739 . . . . 0.0 112.576 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.54 -37.13 32.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 110.358 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -88.13 155.16 52.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.809 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.13 131.12 43.97 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.769 2.313 . . . . 0.0 112.303 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.11 18.22 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.418 0.627 . . . . 0.0 110.43 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -49.79 -22.66 1.5 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.604 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -9.79 21.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' CE1' ' HG2' ' A' ' 104' ' ' ARG . 45.5 m-85 -61.65 -41.59 97.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 0.0 110.53 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.05 21.88 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.49 -32.59 7.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.546 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -80.68 84.87 6.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.977 0.894 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -139.94 118.69 12.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.0 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 125' ' ' PRO . 23.5 tt0 178.42 110.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.02 109.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.381 0.61 . . . . 0.0 109.998 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -111.92 179.52 19.62 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.565 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.68 28.1 3.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.741 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.97 96.31 0.77 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.677 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.04 112.41 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.9 mt -104.06 126.26 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -115.86 99.65 7.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.37 131.28 10.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.97 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -107.51 120.38 42.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.77 123.57 43.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 14.5 p90 -174.74 123.02 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 121.017 0.437 . . . . 0.0 110.886 176.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 169' ' ' THR . 70.6 mt -98.91 126.45 44.59 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 127.63 34.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.454 -178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.8 t -70.14 161.24 30.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.4 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.347 0.594 . . . . 0.0 110.602 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -10.83 59.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.196 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.64 73.79 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.6 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 131.65 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.401 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.79 109.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 111.605 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.33 108.76 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 25.9 mttt -71.63 -71.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.83 85.8 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.289 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -89.7 129.85 36.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -177.276 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 58.78 33.69 23.23 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.691 0.758 . . . . 0.0 109.996 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 m -105.57 134.83 48.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.642 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -89.97 113.26 24.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.042 0.449 . . . . 0.0 111.647 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -89.87 109.89 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.769 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -98.22 118.7 35.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.064 0.459 . . . . 0.0 110.998 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -100.36 100.5 11.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.0 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -122.23 150.02 55.98 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.982 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 19.8 Cg_exo -66.18 143.22 70.37 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.94 2.427 . . . . 0.0 113.134 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.92 97.6 10.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.866 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -102.19 170.63 7.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.059 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -60.29 -26.32 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.876 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.694 ' HA ' ' HB3' ' A' ' 28' ' ' PRO . 56.6 t80 -60.93 -35.28 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.374 176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.648 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.94 -39.75 90.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.05 -38.24 19.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.985 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -66.9 -47.23 72.42 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.5 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.79 -35.85 81.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.612 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.15 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.244 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -74.22 -58.34 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.813 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -108.28 -84.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.22 -113.16 4.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.416 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 151' ' ' THR . 94.0 m-20 -87.03 96.18 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.0 0.429 . . . . 0.0 110.189 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 91' ' ' ARG . 2.9 tt -123.16 120.02 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.269 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.7 147.81 52.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.243 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -63.89 -18.26 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.32 -13.44 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -133.12 31.48 3.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.224 0.535 . . . . 0.0 110.142 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 8.9 tpt180 -76.0 87.11 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.775 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -81.38 124.37 80.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -95.92 11.54 1.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.329 2.686 . . . . 0.0 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.87 -39.45 5.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.781 0.324 . . . . 0.0 110.953 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.25 111.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.469 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.2 pt20 -82.94 128.7 64.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.933 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 3.7 Cg_exo -75.25 152.36 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.887 2.391 . . . . 0.0 111.652 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.7 173.74 12.14 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 111.547 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.43 115.24 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.285 0.564 . . . . 0.0 110.305 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . 74.2 mt -82.21 149.84 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.773 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.0 t70 -62.53 125.82 86.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 12.8 Cg_exo -70.19 -17.75 35.4 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.051 2.501 . . . . 0.0 112.972 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 25.1 tpt180 -70.94 -26.54 63.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 109.867 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 108' ' ' VAL . 54.3 mtp85 -57.18 -37.73 72.56 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 174.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.09 -22.94 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -84.3 -39.21 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.922 0.392 . . . . 0.0 110.426 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -81.63 -21.42 38.26 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 104' ' ' ARG . 57.5 t -68.53 103.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.405 0.622 . . . . 0.0 110.751 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 109' ' ' ARG . 12.3 mtm180 -91.94 121.01 33.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.972 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -101.9 125.03 48.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.934 0.397 . . . . 0.0 111.418 -172.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.27 99.05 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.432 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 m -82.13 112.07 18.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.212 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 p -75.39 112.47 11.74 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.391 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.96 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.217 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.453 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.3 tt0 -135.95 -36.09 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.737 -176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.91 -18.83 64.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.513 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.32 33.06 81.21 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.25 144.31 42.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -136.46 155.61 49.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.509 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.5 152.81 48.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.025 0.441 . . . . 0.0 110.654 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.45 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 72.6 m-85 -133.09 166.45 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.465 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.19 150.03 26.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.512 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 19.0 m80 61.32 64.9 1.02 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.642 0.589 . . . . 0.0 111.987 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.08 134.23 26.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.016 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 40' ' ' GLN . 28.4 Cg_endo -65.24 160.98 39.55 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.774 2.316 . . . . 0.0 112.7 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -81.76 159.28 23.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.319 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.28 -159.3 27.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.883 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -113.46 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.24 162.32 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.558 -175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.72 124.69 52.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.456 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 153' ' ' THR . 58.4 mt -95.72 107.83 20.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 68' ' ' ALA . 15.4 p -98.77 126.72 44.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 p -149.99 120.8 7.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.22 91.34 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.17 116.6 28.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.123 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.3 t -139.76 149.86 44.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.216 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -140.83 133.47 28.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.947 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 t -112.2 104.11 12.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.212 0.529 . . . . 0.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.89 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 14.6 mt-30 -96.14 131.59 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 142' ' ' ASP . 9.1 t -120.46 117.77 28.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 141' ' ' SER . 18.7 t70 72.97 -46.74 0.66 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.859 0.724 . . . . 0.0 110.915 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -179.2 -29.19 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.213 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -93.11 142.43 27.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 110.416 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 2.4 m -83.78 106.92 15.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.167 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.7 pt -95.35 160.01 2.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -123.59 102.51 7.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.35 159.49 14.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.834 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.56 33.43 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.711 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.75 -138.27 7.25 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 40.6 p -89.4 102.08 14.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 117.228 0.514 . . . . 0.0 110.233 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 p -101.39 116.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 121.848 0.833 . . . . 0.0 110.27 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 3.2 m -117.46 122.5 43.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.464 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.715 ' HD2' ' HG ' ' A' ' 168' ' ' LEU . 46.4 tttm -109.07 130.4 55.48 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.818 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.28 106.07 12.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.23 117.66 52.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.854 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.9 t -93.21 127.24 38.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.346 0.593 . . . . 0.0 109.792 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.19 107.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.326 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 34.6 p -122.85 3.52 9.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.165 0.507 . . . . 0.0 110.306 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -99.92 115.91 5.44 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.457 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 23.9 m -82.94 -17.53 43.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.435 0.636 . . . . 0.0 109.906 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 95.8 mt-30 -95.68 162.71 23.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 92.5 Cg_exo -43.3 105.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.09 2.527 . . . . 0.0 112.772 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -95.03 103.65 15.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.4 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -78.92 117.65 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.534 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.48 137.84 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.389 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.466 HD13 ' OH ' ' A' ' 51' ' ' TYR . 34.8 mt -111.11 126.33 54.71 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.715 ' HG ' ' HD2' ' A' ' 154' ' ' LYS . 6.0 tt -106.18 98.84 8.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 176.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 52' ' ' LEU . 1.6 t -136.27 3.47 2.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.121 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.488 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 18.0 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.835 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--O 1.233 0.198 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.77 160.67 45.48 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.446 2.098 . . . . 0.0 111.995 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.23 94.61 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.111 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -141.99 129.09 11.36 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.914 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.79 119.29 5.82 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . 1.8 mp0 -72.65 89.24 1.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.265 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -95.45 -30.44 13.87 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.988 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' HG22 ' A' ' 73' ' ' THR . 3.2 mp0 -61.2 -32.8 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.51 0.195 . . . . 0.0 111.306 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' HD2' ' HB3' ' A' ' 32' ' ' GLU . 94.0 m-85 -69.06 -13.95 62.74 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.22 -2.57 22.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.135 0.493 . . . . 0.0 110.227 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.26 4.21 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.852 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -73.98 98.47 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 98.8 mt-30 -137.84 -165.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.322 -176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 49.6 mt-30 79.31 113.41 0.07 Allowed 'General case' 0 CA--C 1.517 -0.321 0 O-C-N 124.101 0.876 . . . . 0.0 110.678 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.39 104.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.913 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -64.03 127.96 36.35 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.789 -0.642 . . . . 0.0 113.558 -170.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.12 -2.34 16.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.723 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.64 153.26 42.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.867 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 45.8 t -124.23 125.69 70.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.351 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 67.1 mt -101.42 125.54 55.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 163' ' ' PRO . 14.3 m120 -102.77 103.47 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.593 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.19 129.11 8.87 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.842 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -117.28 119.69 35.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 168' ' ' LEU . 51.6 tp -96.71 126.2 41.7 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 2.0 p90 -170.85 109.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.914 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HD23 ' A' ' 135' ' ' LEU . 77.3 mt -98.5 134.84 40.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.752 0.311 . . . . 0.0 110.345 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 p -85.62 130.34 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.105 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -86.18 177.57 7.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.248 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.61 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 111.712 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 p -87.25 -5.1 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.856 0.36 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.73 66.76 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.416 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 157.74 27.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 61.4 mt -112.56 112.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.053 0.454 . . . . 0.0 110.922 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.3 104.55 16.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 36.8 mmtt -59.67 -65.15 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.837 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.19 93.1 2.25 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.423 -0.894 . . . . 0.0 111.362 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 115' ' ' GLN . 10.2 m -100.5 128.97 46.4 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 65.38 30.56 10.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.275 0.56 . . . . 0.0 110.798 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -89.12 143.51 26.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.637 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -97.63 119.15 35.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.317 0.579 . . . . 0.0 111.073 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.53 124.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.093 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.92 118.08 35.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.866 0.365 . . . . 0.0 110.528 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.08 109.53 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.113 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' ' HB2' ' A' ' 130' ' ' TYR . 8.3 pt-20 -119.42 145.9 39.82 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.635 -178.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 22.5 Cg_exo -65.14 124.18 12.63 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.518 2.145 . . . . 0.0 111.849 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 128' ' ' THR . . . -66.61 113.88 5.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.181 0.515 . . . . 0.0 109.853 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -128.23 142.21 51.23 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.776 -173.468 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 p -63.91 -23.21 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.45 -26.59 66.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.089 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.906 ' HG3' HH21 ' A' ' 104' ' ' ARG . 91.1 mmm -97.48 2.16 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -64.08 -31.26 72.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.582 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.99 24.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -62.17 -40.52 96.29 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.988 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -55.03 -34.52 63.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.163 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.91 -21.95 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.65 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.79 -38.39 19.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.118 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.15 -94.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.944 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.59 -134.41 44.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.36 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.1 p30 -81.41 87.37 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 109.999 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 87' ' ' ASP . 10.2 tt -127.09 127.84 45.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.96 -175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.0 m-20 -59.41 136.34 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.736 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.454 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -53.02 -34.18 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.27 -12.81 61.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.892 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -101.51 -6.47 23.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.598 0.237 . . . . 0.0 110.577 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -66.98 102.94 1.05 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.503 0.668 . . . . 0.0 110.188 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 26.1 t0 -92.56 123.09 62.92 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.799 -173.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 32.0 Cg_exo -59.52 -24.31 74.44 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.17 2.58 . . . . 0.0 113.033 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.505 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 13.3 t70 -62.66 -34.32 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.224 0.535 . . . . 0.0 110.517 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.2 103.16 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 20.3 pt20 -95.89 139.83 22.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.308 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 15.9 Cg_exo -68.81 124.45 11.48 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.798 2.332 . . . . 0.0 111.631 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.03 151.44 72.23 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 112.241 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 112.56 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.649 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.536 HD13 ' HG3' ' A' ' 104' ' ' ARG . 95.1 mt -85.07 173.36 10.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 13.2 t70 -75.71 139.24 70.25 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.62 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.44 -29.35 48.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.416 2.744 . . . . 0.0 113.219 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -65.2 -17.74 64.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.564 0.221 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.906 HH21 ' HG3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -56.45 -48.49 76.94 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.108 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.77 64.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.66 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.4 m -85.33 -33.74 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -94.84 -22.76 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 104' ' ' ARG . 59.5 t -76.85 99.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.93 139.73 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.676 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -112.9 121.84 45.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.11 129.83 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.3 m -90.04 127.31 36.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.4 p -67.27 139.64 57.32 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.185 0.516 . . . . 0.0 111.467 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 12.5 t70 -67.07 173.73 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.414 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.446 ' HA ' HG23 ' A' ' 63' ' ' THR . 62.9 tt0 -53.21 -35.73 60.22 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.159 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 65.3 t30 -87.97 11.65 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 72.36 18.6 78.34 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.561 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -90.87 138.52 31.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.34 . . . . 0.0 110.524 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.439 ' HE1' ' HB2' ' A' ' 50' ' ' LEU . 39.1 p90 -144.33 123.88 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.934 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -113.79 136.49 52.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.347 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 76.1 m-85 -114.87 111.86 21.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.38 168.5 10.17 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 50.5 m80 62.47 56.17 2.13 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 110.632 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 121' ' ' PHE . 50.1 mm -113.28 110.31 50.85 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.609 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -72.18 157.93 52.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.287 1.991 . . . . 0.0 110.928 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.72 130.66 41.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.153 0.501 . . . . 0.0 111.583 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.31 -173.52 42.47 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.138 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.498 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 m -99.42 141.84 31.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 117.229 0.514 . . . . 0.0 110.18 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.27 150.95 51.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.174 0.511 . . . . 0.0 111.99 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.665 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 28.1 m-85 -107.41 118.26 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.214 171.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.5 HD12 HG11 ' A' ' 166' ' ' VAL . 71.2 mt -95.48 107.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -114.56 121.91 44.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.9 t -145.68 141.2 27.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -104.88 102.7 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.203 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.419 HD23 ' HG ' ' A' ' 52' ' ' LEU . 50.6 tp -109.38 115.01 29.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.083 0.468 . . . . 0.0 109.828 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.9 p -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.521 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.7 p90 -139.88 152.47 46.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 145' ' ' THR . 7.1 t -105.8 123.89 48.68 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.09 142.86 45.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 -173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -85.59 123.36 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.3 t -140.26 98.23 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.082 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 65.22 41.06 4.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.941 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.24 -20.48 25.86 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.459 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.63 123.76 33.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.548 HG22 ' OG ' ' A' ' 138' ' ' SER . 1.2 m -90.43 101.49 14.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.5 pt -90.55 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.2 m -123.69 121.05 34.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.389 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.521 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 49.3 mt-10 -113.79 163.39 15.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 105.58 -162.11 14.37 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.007 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 153.86 -159.77 28.94 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.765 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 21.7 p -88.56 102.56 15.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.53 118.46 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.37 0.605 . . . . 0.0 110.06 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.7 m -103.87 118.9 37.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 168' ' ' LEU . 30.5 tptt -109.37 119.98 41.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.724 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.47 121.19 27.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 81.6 t -129.69 128.57 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.0 m -107.64 114.19 28.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.57 93.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 110.508 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.8 p -107.23 28.13 8.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 110.693 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -148.98 159.13 27.92 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.616 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 19.3 m -94.66 -26.96 16.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.012 0.435 . . . . 0.0 110.474 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.33 151.01 97.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.187 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 68.2 Cg_exo -40.91 118.49 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.938 3.092 . . . . 0.0 113.728 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.02 114.85 26.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.367 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -83.74 117.42 23.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.558 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.2 t -123.05 118.64 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.31 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.75 108.45 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.098 0.475 . . . . 0.0 110.297 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 50' ' ' LEU . 26.9 tp -88.5 82.71 6.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 9.9 t -124.84 -16.56 6.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.198 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.655 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 98' ' ' PRO . 94.1 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.383 0.611 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.15 149.17 64.03 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.918 2.412 . . . . 0.0 112.088 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -83.81 77.48 9.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.468 0.651 . . . . 0.0 110.651 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -97.46 165.02 16.42 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.877 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.41 -18.89 61.09 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 112.448 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 69.21 17.86 8.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.873 0.844 . . . . 0.0 109.699 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -91.33 -7.03 52.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 4.7 mp0 -67.25 -19.97 65.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.153 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.77 -22.56 65.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -88.1 4.57 44.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.44 11.82 24.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.336 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -129.11 18.8 5.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.051 0.453 . . . . 0.0 110.469 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 4.0 pt20 -98.41 23.77 8.09 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.989 -174.254 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -91.61 -111.75 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.03 149.35 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.94 155.63 24.49 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.507 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.65 16.02 1.24 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.054 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.01 108.99 2.73 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.045 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.46 103.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.907 0.384 . . . . 0.0 110.081 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.8 mt -93.3 122.77 45.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.931 0.396 . . . . 0.0 110.321 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -104.83 99.7 9.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.18 127.81 9.37 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.508 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.49 112.35 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 168' ' ' LEU . 30.3 tp -96.04 127.02 41.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.261 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -167.01 121.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.863 171.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 169' ' ' THR . 92.5 mt -104.08 136.4 43.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.53 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p -81.39 111.01 17.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -71.79 164.92 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.397 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.48 67.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 111.423 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -81.21 -10.43 59.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.73 26.54 71.18 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.18 -16.32 38.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.559 0.219 . . . . 0.0 111.303 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt 66.99 111.4 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.572 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 12.4 mm100 -106.19 117.05 33.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.647 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 29.1 mmtt -70.62 -70.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.061 -176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 95.62 1.46 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.554 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -92.67 113.5 25.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 54.67 67.38 1.02 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.462 0.649 . . . . 0.0 110.622 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' THR . 4.3 m -110.58 147.66 33.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.66 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 110' ' ' GLU . 42.3 tptt -78.13 120.25 22.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.064 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.53 112.32 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.065 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.7 115.66 30.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 131' ' ' ILE . 8.1 tt -108.78 112.27 24.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.913 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -127.48 155.81 76.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.16 133.21 39.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.043 2.495 . . . . 0.0 113.271 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -87.11 128.43 35.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.154 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 t -148.08 157.39 43.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.696 -175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -61.88 -26.4 68.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.442 0.639 . . . . 0.0 110.04 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' HD2' ' HG3' ' A' ' 76' ' ' MET . 53.9 t80 -57.23 -32.95 67.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.774 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.449 ' HG3' ' HD2' ' A' ' 75' ' ' TYR . 83.7 mtp -107.43 15.87 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.076 -175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.98 -44.51 91.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.59 81.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.685 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -68.21 -33.14 73.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.214 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.35 -33.66 55.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.81 56.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.425 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -77.98 -53.98 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.407 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.84 -85.51 0.35 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.39 -120.79 10.44 Favored Glycine 0 C--N 1.334 0.425 0 O-C-N 123.675 0.609 . . . . 0.0 112.688 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.556 HD21 ' HG2' ' A' ' 170' ' ' ARG . 32.3 t-20 -81.69 81.25 7.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.481 ' HG ' ' HG3' ' A' ' 90' ' ' LYS . 6.1 tt -102.28 116.95 33.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.501 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.33 170.75 15.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.248 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HA ' ' HG2' ' A' ' 91' ' ' ARG . . . -71.04 -18.8 62.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.844 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 35.2 pttt -111.17 39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 111.267 -178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HG2' ' HA ' ' A' ' 88' ' ' ALA . 15.4 mmt85 -72.66 113.22 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.667 174.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -99.53 113.69 65.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.32 -2.77 8.6 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.639 2.226 . . . . 0.0 112.882 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -102.82 -47.91 4.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.828 0.346 . . . . 0.0 110.23 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.2 87.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 109.762 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -79.27 151.44 75.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.69 120.92 8.63 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.517 2.144 . . . . 0.0 111.266 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HG3' HD11 ' A' ' 27' ' ' LEU . 37.4 Cg_endo -65.59 166.06 21.03 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.791 2.327 . . . . 0.0 112.638 -176.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.78 106.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.8 -172.93 2.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.237 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.473 ' OD2' ' HG3' ' A' ' 104' ' ' ARG . 3.6 t70 -52.62 133.6 45.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.154 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.79 -19.33 12.71 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.974 2.449 . . . . 0.0 112.765 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -72.82 -15.78 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.506 . . . . 0.0 110.325 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' HG3' ' OD2' ' A' ' 101' ' ' ASP . 39.5 mtp-105 -56.47 -29.26 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.703 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.15 21.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 111.297 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.2 m -115.22 -37.73 4.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -94.65 -14.1 25.22 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 70' ' ' GLU . 91.0 t -82.3 108.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 109.766 176.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -86.2 112.32 21.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.331 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.438 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 43.5 mt-10 -101.57 116.66 33.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -110.88 175.01 5.59 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.973 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.1 m -142.4 127.48 18.5 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.251 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.421 HG21 HD23 ' A' ' 50' ' ' LEU . 29.3 p -59.55 137.96 57.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 10.7 p-10 -54.98 -61.89 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 26.7 tt0 179.71 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.725 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -92.4 11.08 27.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.58 26.08 47.98 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.673 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -109.96 147.19 33.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.409 -0.465 . . . . 0.0 111.319 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -143.56 130.63 20.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.497 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -111.69 128.72 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.62 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 18.7 m-85 -115.77 142.69 46.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -144.1 157.85 44.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 m80 66.01 34.32 7.09 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.641 0.588 . . . . 0.0 111.751 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.95 126.77 45.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.307 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.11 159.53 38.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.149 2.566 . . . . 0.0 112.215 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.29 137.85 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.35 -144.9 11.33 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -136.29 136.37 39.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -132.85 164.64 26.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.478 ' CE1' HD13 ' A' ' 155' ' ' LEU . 50.0 m-85 -110.02 124.45 51.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.333 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 69' ' ' LEU . 63.8 mt -101.08 104.66 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -110.25 125.14 52.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -137.65 132.63 33.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.373 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -96.65 107.15 19.54 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.101 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.601 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 48.9 tp -117.61 93.22 4.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' A' ' 147' ' ' THR . 45.1 p -110.12 112.97 25.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.568 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 45.4 p90 -115.63 159.16 21.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.5 p -101.62 129.69 47.79 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.895 0.378 . . . . 0.0 111.093 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.85 124.68 43.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.891 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.31 118.52 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 0.0 111.132 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.8 t -107.02 -164.56 1.0 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.66 95.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.363 . . . . 0.0 111.262 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 70.56 -1.76 19.58 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.328 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -136.67 116.47 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.513 -0.404 . . . . 0.0 110.688 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -88.48 114.24 24.9 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.06 0.457 . . . . 0.0 109.877 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.8 pt -93.79 147.94 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 136' ' ' THR . 40.5 m -98.11 104.27 16.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.932 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 39.5 mt-10 -86.7 175.64 8.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.602 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' GLY . . . . . 0.601 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 88.65 -98.21 2.4 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.084 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.98 -157.38 25.08 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.829 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.8 m -96.15 102.61 14.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.987 0.422 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 85' ' ' ASN . 7.3 p -95.92 125.83 48.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.206 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 61.6 m -117.35 121.81 42.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.077 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -110.29 126.42 54.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.722 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.478 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.6 tp -85.43 109.26 18.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.044 0.45 . . . . 0.0 110.3 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.6 t -114.0 125.22 71.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 27.9 m -108.31 101.09 10.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.35 98.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.4 m -99.0 17.58 19.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.689 -171.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -178.93 -168.74 38.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 20.0 m -106.95 17.29 23.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.309 0.575 . . . . 0.0 110.167 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -79.39 153.33 76.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.491 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.47 103.38 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.464 2.11 . . . . 0.0 110.852 173.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.98 113.72 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -175.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.22 112.94 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.92 120.17 58.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.554 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.02 122.08 28.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.501 HD23 HD13 ' A' ' 50' ' ' LEU . 35.5 tp -88.03 100.7 13.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.472 0.653 . . . . 0.0 109.923 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.424 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -165.07 174.85 9.96 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.611 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.556 ' HG2' HD21 ' A' ' 85' ' ' ASN . 89.7 mtt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.991 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 71.6 Cg_endo -85.21 120.97 2.26 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.781 2.321 . . . . 0.0 112.466 175.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -79.62 -41.05 27.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 95.0 m-85 -64.15 -54.07 42.52 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 97.6 Cg_endo -78.99 13.2 2.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.8 1.667 . . . . 0.0 113.699 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.17 63.34 4.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 111.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -96.36 1.46 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.561 165.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.23 -49.03 60.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.435 -166.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -61.76 -36.44 81.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.117 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.77 64.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.296 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.97 10.05 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 111.248 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.4 m -93.6 116.12 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.23 162.87 15.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.353 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -97.35 -14.43 21.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.549 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.34 112.5 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.571 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -164.12 169.43 38.98 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.388 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.62 13.86 4.49 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.33 123.1 10.06 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.923 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.31 111.2 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 62.9 mt -101.93 116.28 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -103.01 99.09 8.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -107.54 129.05 9.47 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.528 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.5 117.99 35.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.5 tp -92.14 129.23 38.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 38.1 p90 -170.65 114.53 0.45 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.893 172.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 135' ' ' LEU . 65.4 mt -102.18 128.18 48.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.566 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 59' ' ' ILE . 10.9 p -82.47 100.25 9.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.532 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -65.05 162.89 15.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.704 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.59 64.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.593 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.59 -20.15 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.88 20.72 72.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.616 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.02 36.97 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.853 -0.204 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.479 HG12 HG22 ' A' ' 53' ' ' THR . 60.1 mt 66.82 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.483 0.658 . . . . 0.0 111.735 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -93.68 123.16 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.433 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 6.1 mmtt -85.59 -18.25 33.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.675 -168.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.42 84.63 0.61 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.188 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -94.23 114.09 26.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.7 0.286 . . . . 0.0 110.658 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' A' ' 113' ' ' THR . 26.1 t-20 58.78 75.92 0.37 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.68 0.752 . . . . 0.0 109.855 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -130.42 144.59 51.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.099 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -85.24 121.74 28.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 111.52 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.06 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.19 146.63 25.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.857 0.361 . . . . 0.0 110.81 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 tt -126.74 122.42 34.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.6 pt-20 -134.97 150.95 74.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.79 147.15 39.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.218 2.612 . . . . 0.0 113.237 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.79 100.25 1.87 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.589 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -112.0 136.31 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.509 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.2 t -62.72 -23.89 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.197 0.522 . . . . 0.0 110.397 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 85.2 t80 -60.47 -27.62 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.989 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.3 mtp -108.42 11.81 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.97 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.081 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.91 61.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.952 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -77.06 -42.0 40.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 153' ' ' THR . 7.1 m-85 -77.37 -10.41 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.205 -177.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.76 76.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.539 0.685 . . . . 0.0 109.277 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -84.92 -61.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.267 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 8.96 43.26 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.441 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.95 2.65 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.876 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.98 79.76 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.847 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 8.4 tt -102.22 107.94 19.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.411 0.624 . . . . 0.0 110.815 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.22 155.02 39.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.38 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.1 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.712 0.291 . . . . 0.0 111.054 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.26 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.847 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 49.0 pttt -115.73 29.35 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 86' ' ' LEU . 4.0 mmm180 -71.79 105.12 3.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.858 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.46 113.92 60.11 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.044 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.24 -3.99 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.872 2.382 . . . . 0.0 112.918 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -102.65 -48.93 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.663 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.74 114.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 mm100 -92.98 143.37 26.71 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.644 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 42.3 Cg_exo -57.76 134.0 59.95 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.792 2.328 . . . . 0.0 112.014 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 19.9 Cg_exo -66.0 161.74 38.39 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.32 100.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.376 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.34 170.29 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.72 130.45 92.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.56 -19.53 52.84 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.419 2.746 . . . . 0.0 113.827 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -59.05 -28.62 66.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.639 0.257 . . . . 0.0 111.676 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -65.67 -23.66 66.84 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.023 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.17 64.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 0.0 110.487 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -94.13 -27.75 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.726 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -93.07 -36.8 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 70' ' ' GLU . 58.0 t -73.97 101.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.346 0.593 . . . . 0.0 110.188 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.443 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -90.2 124.56 34.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.597 -178.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.74 128.91 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.348 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.11 137.86 48.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -102.48 111.67 24.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.717 0.294 . . . . 0.0 110.693 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 39.4 p -71.74 151.0 43.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.238 177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.35 -148.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -51.56 -35.31 40.45 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.385 0.428 . . . . 0.0 112.073 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -65.54 -25.08 67.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.293 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.494 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 58.39 39.2 92.5 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.49 147.64 45.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.434 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 46.4 p90 -137.04 150.78 48.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 110.419 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.92 129.51 32.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.291 0.567 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 124' ' ' ILE . 63.5 m-85 -116.5 150.0 38.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.149 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.41 174.47 14.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 71.2 m-70 59.81 42.11 17.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.554 0.692 . . . . 0.0 110.603 -174.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' A' ' 121' ' ' PHE . 57.2 mt -110.19 121.64 41.06 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.951 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 18.0 Cg_endo -61.97 146.56 96.26 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.369 2.046 . . . . 0.0 111.61 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.77 116.88 4.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.823 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.73 -177.84 48.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.937 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 65.4 m -101.61 126.19 48.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 81.5 m-85 -130.4 165.98 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.987 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -114.3 135.82 53.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.896 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 153' ' ' THR . 51.9 mt -98.88 110.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -107.77 116.73 32.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.179 0.514 . . . . 0.0 110.847 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.1 t -136.96 132.65 34.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.83 92.69 5.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.651 0.738 . . . . 0.0 110.594 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 52' ' ' LEU . 55.8 tp -114.42 108.17 16.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.93 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -125.95 151.27 47.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.434 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 37.7 p90 -146.08 152.96 40.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.406 ' HB2' HG22 ' A' ' 145' ' ' THR . 13.0 p -102.69 108.6 19.92 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.88 133.83 54.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 87.1 mt-30 -81.44 104.89 12.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -95.93 113.3 24.91 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 65.04 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.83 0.706 . . . . 0.0 110.947 -176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.76 4.16 2.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.444 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -121.02 123.56 42.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.013 0.435 . . . . 0.0 110.966 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 24.9 m -76.9 108.42 9.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.131 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 pt -105.99 157.52 6.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.691 0.281 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.5 m -105.55 113.17 26.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 38.8 mt-10 -109.94 177.06 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.155 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 98.23 -136.94 12.99 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.175 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.95 -145.94 17.61 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.596 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.4 m -109.17 102.79 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.165 0.507 . . . . 0.0 109.666 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.35 130.01 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.766 HG21 ' HE2' ' A' ' 80' ' ' TYR . 8.1 m -120.28 120.15 35.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.69 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -110.39 143.15 41.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -91.1 104.25 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.186 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.47 106.38 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.317 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 5.0 t -99.09 96.32 7.71 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.828 0.823 . . . . 0.0 110.347 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.08 86.35 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.931 -177.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -91.89 19.12 6.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.637 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -164.56 148.24 14.04 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.045 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 29.5 m -84.82 59.37 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.852 0.834 . . . . 0.0 109.946 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -117.27 162.35 28.55 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.864 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.89 102.29 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.281 1.987 . . . . 0.0 110.469 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.97 117.43 30.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.343 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.66 111.49 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.025 0.44 . . . . 0.0 109.946 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.519 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.7 t -119.31 107.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.385 -177.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.32 111.03 12.55 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 32.0 tp -79.75 87.9 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.774 0.797 . . . . 0.0 109.809 -178.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 13.0 t -157.48 178.77 9.92 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.007 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.249 -176.512 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.05 177.08 5.53 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.608 2.205 . . . . 0.0 111.534 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 36.4 t70 -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 36.7 m-85 109.17 -30.72 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.251 1.42 . . . . 0.0 114.795 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.58 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 20.0 Cg_exo -67.73 9.22 0.36 Allowed 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 121.843 1.694 . . . . 0.0 113.435 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -82.29 3.66 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -53.22 -37.13 61.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.255 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.56 -29.17 63.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.194 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -66.01 -26.8 67.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.289 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.44 5.07 51.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.791 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.2 18.98 10.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.025 0.44 . . . . 0.0 111.199 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -96.58 91.28 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -121.7 -167.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.992 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 44.6 mt-30 82.06 113.9 0.06 Allowed 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.861 0.864 . . . . 0.0 111.918 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -87.36 103.29 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.35 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -91.27 170.66 34.45 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.406 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 24.33 13.08 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.545 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.819 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -64.93 113.31 5.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.742 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.81 98.77 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.23 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 49.4 mt -99.52 93.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.012 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.581 ' H ' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -102.79 140.96 36.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.23 157.04 27.03 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.503 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.04 119.14 34.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 27.2 tp -94.59 129.01 41.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.592 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 34.1 p90 -169.84 130.6 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 135' ' ' LEU . 96.4 mt -118.47 141.23 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.007 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 p -89.8 134.47 34.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 91.1 p -88.22 -179.19 6.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.751 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -28.48 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -77.69 -30.21 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.942 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.56 30.96 3.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.853 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.23 140.18 32.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.17 108.91 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.176 0.512 . . . . 0.0 110.594 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 14.3 mm100 -89.47 106.36 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.779 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.638 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 14.8 mmtt -76.98 -12.05 59.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.094 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.93 83.9 0.37 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.277 -0.963 . . . . 0.0 111.515 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -83.56 105.16 14.26 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 113' ' ' THR . 15.0 t-20 59.11 72.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.524 0.678 . . . . 0.0 109.823 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.6 m -128.61 138.52 52.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.533 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -74.97 111.89 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.015 0.436 . . . . 0.0 111.86 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.72 116.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.484 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.38 134.23 47.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.733 0.301 . . . . 0.0 111.157 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -115.68 118.75 33.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.16 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -126.41 151.5 72.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 8.3 Cg_exo -72.61 146.96 44.72 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.373 2.715 . . . . 0.0 113.112 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.78 109.33 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -123.19 155.61 36.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.523 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 57.3 p -77.69 -9.54 59.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.289 0.566 . . . . 0.0 110.354 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' HB2' ' HB2' ' A' ' 31' ' ' PRO . 61.5 t80 -67.92 -35.81 79.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.7 mtp -91.61 17.35 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.343 -173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 74' ' ' SER . 49.8 mtmt -58.2 -43.47 87.64 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -69.6 -44.22 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.95 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.8 -39.09 83.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.712 ' HE1' HG21 ' A' ' 153' ' ' THR . 52.2 t80 -74.89 -23.72 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.53 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 73.8 mmtt -68.84 -56.32 8.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -122.05 -84.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.316 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.22 -128.62 42.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.188 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 151' ' ' THR . 41.0 t-20 -82.46 103.21 11.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.5 tt -138.38 127.15 23.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -170.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.463 ' CB ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 t70 -57.7 146.7 30.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.824 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.15 -24.21 67.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.67 0.271 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.05 -22.64 60.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.306 0.575 . . . . 0.0 110.506 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 87' ' ' ASP . 41.0 mtmt -100.37 7.81 44.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.699 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -73.69 107.41 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.207 -178.444 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -98.73 110.08 55.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.477 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -88.39 8.38 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.718 2.279 . . . . 0.0 112.9 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -91.71 -43.88 9.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.0 118.22 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.815 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -89.78 126.76 56.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.345 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 31.8 Cg_exo -58.56 128.37 28.06 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 111.477 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 40.8 Cg_exo -56.55 138.96 86.57 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.692 2.261 . . . . 0.0 112.149 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.33 112.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.328 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.424 HD22 ' CE2' ' A' ' 75' ' ' TYR . 56.7 mt -85.25 176.56 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.04 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 15.9 t70 -57.17 124.37 65.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.17 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 39.7 Cg_exo -58.07 -16.94 29.21 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.524 2.816 . . . . 0.0 114.314 -171.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -65.0 -20.07 66.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.0 ptm85 -63.54 -26.01 68.51 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.599 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.58 -16.32 64.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.965 0.412 . . . . 0.0 110.983 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -97.11 -34.79 11.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.77 -35.53 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.715 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 70' ' ' GLU . 86.0 t -71.17 118.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 109' ' ' ARG . 22.9 mtp180 -99.99 141.48 32.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.499 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -101.92 147.7 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.43 102.59 4.66 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.293 170.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 m -82.29 109.76 16.85 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 26.7 p -55.16 140.52 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.53 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -76.63 -171.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -74.32 -3.37 29.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.271 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.99 7.31 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.756 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 61.36 48.06 87.33 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.08 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 119' ' ' PHE . 3.6 tmt_? -136.96 144.12 43.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' ARG . 49.2 p90 -142.87 156.63 44.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 47' ' ' ASN . 4.9 p-10 -145.85 140.92 27.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.278 0.561 . . . . 0.0 110.753 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.515 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 95.7 m-85 -113.26 158.28 20.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.299 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.72 171.46 20.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.5 m170 62.5 45.51 6.28 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.528 . . . . 0.0 110.758 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 69.4 mt -129.13 138.25 32.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.229 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.559 ' HG3' ' O ' ' A' ' 40' ' ' GLN . 7.0 Cg_exo -72.57 -176.75 2.41 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.779 2.319 . . . . 0.0 112.441 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.78 155.83 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.01 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.75 -158.61 26.23 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.583 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 m -104.65 124.62 49.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.2 161.74 33.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -116.74 134.04 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 153' ' ' THR . 38.2 mt -100.39 113.69 36.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.9 m -111.2 114.43 27.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.693 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.3 m -131.41 129.24 41.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -93.62 100.33 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.277 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.43 HD23 HD12 ' A' ' 52' ' ' LEU . 46.9 tp -116.53 90.63 3.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.476 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 88' ' ' ALA . 45.2 p -115.47 138.8 50.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.507 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.4 p90 -141.53 150.48 42.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.986 0.422 . . . . 0.0 110.208 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.3 m -107.7 120.09 41.26 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 51.1 mt-30 -81.73 99.75 9.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.162 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 103.58 16.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 65.49 -77.68 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.938 0.774 . . . . 0.0 111.419 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -140.68 5.37 2.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.415 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -123.95 120.35 32.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.761 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 15.5 m -79.24 128.48 33.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.492 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 26.6 pt -119.39 141.58 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.177 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.2 m -94.38 104.23 16.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 40.4 mt-10 -101.38 165.47 11.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.547 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.31 -152.38 21.56 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.258 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 151.93 -155.35 26.09 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.199 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 10.7 m -96.94 105.31 17.43 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.07 121.1 45.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.768 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.712 HG21 ' HE1' ' A' ' 80' ' ' TYR . 13.9 m -109.74 119.79 40.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.81 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -110.67 130.03 55.67 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.99 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.7 tp -80.36 116.47 20.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 94.2 t -116.89 124.57 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.282 0.563 . . . . 0.0 111.2 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.3 t -105.59 121.83 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.954 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.28 104.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.8 t -70.21 -27.84 64.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.1 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.84 -158.35 31.13 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.338 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.819 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.5 p -73.88 -24.0 59.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.531 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.99 146.14 88.11 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.36 117.24 3.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.541 2.827 . . . . 0.0 113.639 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -103.67 110.71 22.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.6 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 63.1 tttp -96.06 116.86 29.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 0.0 110.061 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.97 116.04 48.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.654 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.32 112.84 16.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 50' ' ' LEU . 28.3 tp -81.39 93.49 6.61 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.622 0.725 . . . . 0.0 109.991 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 12.1 t -159.19 179.0 9.4 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.545 -1.207 . . . . 0.0 107.859 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 14.5 tpt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.139 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 9.8 Cg_endo -51.5 144.07 33.57 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.566 . . . . 0.0 112.356 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.6 84.9 0.87 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 28' ' ' PRO . 85.2 m-85 -133.06 91.96 26.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.434 173.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.27 166.28 19.62 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.383 2.056 . . . . 0.0 110.805 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 66.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -95.78 -10.37 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.818 167.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -96.16 -30.11 13.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.551 -163.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.598 ' OH ' ' HG2' ' A' ' 76' ' ' MET . 54.7 m-85 -91.27 -48.58 6.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.157 -0.34 . . . . 0.0 110.974 -174.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.88 57.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.54 10.42 38.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 p -75.56 158.87 31.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -100.45 154.43 18.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.62 16.83 19.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.115 0.484 . . . . 0.0 110.679 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.1 107.39 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.85 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.41 128.16 1.87 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.971 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.31 16.89 3.37 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.143 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -74.57 143.52 31.58 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.818 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.73 115.74 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.869 0.366 . . . . 0.0 110.255 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 70.5 mt -106.46 119.57 56.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 11.7 t-20 -121.59 118.96 30.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -132.5 149.57 19.51 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.983 -171.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.36 120.94 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.807 -0.697 . . . . 0.0 109.163 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 26.0 tp -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 26.2 p90 -164.51 125.2 2.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.285 0.564 . . . . 0.0 110.38 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -108.46 135.66 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.303 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.27 114.99 20.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.854 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.411 ' HB3' ' OE2' ' A' ' 148' ' ' GLU . 1.2 m -65.0 155.8 33.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.93 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.34 68.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.25 -1.75 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.9 35.72 85.21 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 121.367 -0.444 . . . . 0.0 113.482 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -87.27 -38.99 15.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.689 -0.301 . . . . 0.0 111.146 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 85.0 mt 69.8 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.749 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -131.26 133.58 45.58 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 32.7 mmtp -66.05 -70.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.75 102.71 1.66 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.399 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.6 p -115.61 142.44 46.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t30 64.53 21.86 12.54 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.093 0.949 . . . . 0.0 109.407 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.3 m -92.84 132.88 36.61 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.311 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -83.8 114.87 21.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.183 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.517 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 87.0 t -100.95 118.53 47.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.781 174.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.16 128.37 51.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.978 0.418 . . . . 0.0 110.633 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 tp -107.48 97.37 7.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.932 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -102.82 136.58 19.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.65 142.35 52.87 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.269 1.979 . . . . 0.0 111.697 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.82 101.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.089 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 p -122.86 152.69 40.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.201 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 m -72.09 -27.95 62.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.98 -34.92 71.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.984 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.598 ' HG2' ' OH ' ' A' ' 35' ' ' TYR . 91.3 mmm -84.53 -11.15 56.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.03 -36.46 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.26 61.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.021 0.438 . . . . 0.0 111.419 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -74.8 -27.27 60.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.057 0.456 . . . . 0.0 110.01 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -65.41 -30.19 70.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.43 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.75 -27.65 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.706 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 16.2 mtpp -75.32 -38.55 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.67 -79.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.858 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.94 -121.64 27.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.403 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.674 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.4 p30 -92.99 92.92 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.781 0.8 . . . . 0.0 109.645 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 87' ' ' ASP . 8.3 tt -123.22 121.18 35.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.528 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.633 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 m-20 -58.96 141.58 53.36 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.897 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.41 -27.59 37.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 -9.32 59.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.853 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 58.1 mttp -100.02 -4.95 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.271 . . . . 0.0 110.526 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 91' ' ' ARG . 13.6 ttp180 -69.13 114.5 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 27.7 t70 -112.79 124.43 31.77 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.7 Cg_exo -76.83 -5.46 15.97 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.97 2.447 . . . . 0.0 113.446 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.515 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 26.8 t70 -88.26 -31.13 19.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.438 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' NZ ' ' A' ' 82' ' ' LYS . 16.9 t -77.2 75.9 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 109.644 175.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 47.8 mt-30 -55.41 135.8 69.84 Favored Pre-proline 0 C--O 1.236 0.361 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.798 -173.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.706 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 55.6 Cg_endo -94.95 126.66 0.41 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.7 2.933 . . . . 0.0 111.968 171.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 7.1 Cg_exo -73.79 151.11 45.55 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 111.792 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.63 126.73 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.056 0.455 . . . . 0.0 109.877 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.9 mt -104.48 179.47 4.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.481 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 7.7 t70 -52.0 136.75 37.41 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.243 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.57 -25.34 6.73 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.041 2.494 . . . . 0.0 113.72 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -70.22 -21.82 62.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.992 0.425 . . . . 0.0 110.803 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 101' ' ' ASP . 23.0 mtp-105 -47.93 -46.25 31.89 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.16 -5.58 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.754 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -92.61 -35.56 13.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 0.0 110.069 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -88.7 -33.57 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.007 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' ARG . 58.3 t -76.92 107.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.726 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -73.82 130.6 40.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.13 113.17 26.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -115.19 127.44 55.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.708 0.29 . . . . 0.0 110.878 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.5 m -86.87 121.3 29.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.195 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.8 p -68.25 141.24 55.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 111.449 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.53 -167.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.77 0.795 . . . . 0.0 111.106 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -71.37 -27.75 63.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.948 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -89.77 3.87 51.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.01 52.01 9.57 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.685 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.544 ' HB2' HH11 ' A' ' 118' ' ' ARG . 0.5 OUTLIER -130.53 147.84 52.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 38.6 p90 -129.08 139.19 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.082 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.48 126.2 54.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.495 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 17.8 m-85 -125.96 138.59 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 0.0 111.406 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -139.08 165.92 25.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.686 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.26 37.26 23.73 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.419 0.45 . . . . 0.0 111.722 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 158' ' ' VAL . 45.9 mm -84.98 121.84 74.22 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.164 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 124' ' ' ILE . 13.9 Cg_exo -70.08 168.97 20.45 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.881 2.387 . . . . 0.0 112.112 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -79.2 116.97 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.65 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.57 -170.98 39.92 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 11.9 t -113.84 138.71 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.049 0.452 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -132.87 164.06 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -113.17 126.2 55.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.852 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 153' ' ' THR . 57.2 mt -94.14 104.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.1 p -108.2 130.09 55.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.117 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 4.7 p -151.59 146.49 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.659 0.266 . . . . 0.0 111.368 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.562 ' HG2' HG22 ' A' ' 151' ' ' THR . 46.5 mt-10 -102.02 103.85 14.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.557 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.512 ' HG ' ' HZ3' ' A' ' 137' ' ' TRP . 37.8 tp -120.13 111.03 17.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.9 p -141.04 130.68 24.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -174.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.512 ' HZ3' ' HG ' ' A' ' 135' ' ' LEU . 44.5 p90 -139.99 151.56 45.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 p -94.54 128.66 41.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.025 0.44 . . . . 0.0 111.143 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.92 159.56 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -107.93 113.74 27.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.672 0.272 . . . . 0.0 110.427 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.1 t -87.62 -76.05 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.281 0.562 . . . . 0.0 110.443 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.17 63.84 1.41 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.088 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 76.48 -8.37 27.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.595 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -105.87 130.13 53.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 19.9 m -84.09 111.44 19.32 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.0 pt -98.97 153.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.281 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 13.6 m -99.32 99.9 10.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 54' ' ' SER . 6.5 mm-40 -81.45 108.52 15.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.043 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 133.15 -164.35 24.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.35 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.66 -157.98 29.18 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.7 p -91.0 112.45 24.36 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.15 132.91 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 6.8 p -120.44 116.4 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.741 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -109.67 121.36 45.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.964 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 66.3 tp -80.27 112.92 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.026 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.6 t -121.11 123.98 71.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 25.0 m -107.59 119.54 39.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.214 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 124' ' ' ILE . 42.7 t -97.25 123.12 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 4.07 50.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.519 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 159.92 -149.83 19.67 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.016 -1.087 . . . . 0.0 113.012 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.516 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.2 m -91.64 9.68 31.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.081 0.467 . . . . 0.0 110.999 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 163' ' ' PRO . 2.3 mp0 -78.82 138.01 57.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.278 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 162' ' ' GLN . 21.0 Cg_exo -64.93 124.23 12.79 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.705 2.27 . . . . 0.0 112.039 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.6 120.18 37.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.106 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 82.4 tttt -92.46 120.44 32.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.95 130.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.825 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.3 111.9 20.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 22.2 tp -82.14 90.08 6.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.99 0.9 . . . . 0.0 110.051 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 -178.09 5.99 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.437 ' HD2' ' OXT' ' A' ' 170' ' ' ARG . 6.0 ppt_? . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.91 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.03 144.15 21.04 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.541 2.16 . . . . 0.0 112.288 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -82.39 93.53 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' ' HD1' ' A' ' 75' ' ' TYR . 64.4 t80 -118.14 134.34 23.36 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.211 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 7.7 Cg_endo -50.69 135.67 41.86 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.581 2.854 . . . . 0.0 113.042 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -77.47 32.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.653 -174.627 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.95 -16.31 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.637 0.256 . . . . 0.0 111.55 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.15 20.22 18.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.881 0.372 . . . . 0.0 111.086 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 28.9 3.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.397 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -105.69 23.35 14.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.813 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 125' ' ' PRO . 45.5 mt-30 61.34 -163.79 0.25 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.19 -63.42 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.45 99.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.218 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -101.78 174.94 24.97 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.254 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.65 8.97 0.88 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.22 150.38 23.69 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.477 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -118.58 118.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.87 112.25 28.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.683 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -102.36 99.01 9.05 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -110.03 121.59 6.05 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.161 -173.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 17.2 m-20 -104.07 120.97 42.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 40.4 tp -102.01 130.61 48.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.894 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 30.7 p90 -166.45 125.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 135' ' ' LEU . 91.4 mt -112.27 136.2 52.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -84.31 118.34 24.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.685 175.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -65.01 155.96 32.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.147 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.37 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.187 0.518 . . . . 0.0 110.277 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -77.24 -10.87 59.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.263 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.09 64.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.746 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -141.47 147.43 37.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 99.1 mt -104.89 101.89 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.424 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 84.5 mm-40 -103.67 123.27 46.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.452 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 27.8 mmtp -66.49 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.455 0.472 . . . . 0.0 111.63 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 50' ' ' LEU . . . 169.31 79.32 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -95.37 113.25 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 60.92 52.76 4.03 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.725 0.774 . . . . 0.0 109.308 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -110.97 131.02 55.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.077 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 27.4 ttpt -81.12 116.58 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.055 0.455 . . . . 0.0 111.063 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.66 114.85 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.28 113.06 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.385 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.8 tp -98.99 101.94 13.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.158 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 8.2 pt-20 -116.83 148.6 42.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.256 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.6 Cg_exo -72.99 136.79 25.51 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.005 2.47 . . . . 0.0 112.951 -177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.26 117.84 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 p -135.52 173.38 11.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 m -69.39 -45.4 69.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.929 0.395 . . . . 0.0 110.354 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 30' ' ' PHE . 92.0 t80 -60.54 -37.21 80.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.346 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.472 ' HA ' ' HE2' ' A' ' 76' ' ' MET . 1.5 tpt -76.37 -24.0 54.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.786 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.69 -41.24 90.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.91 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.76 -37.66 59.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.424 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -61.36 -36.45 80.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.42 -20.24 65.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.503 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -84.36 -47.8 10.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.342 . . . . 0.0 111.741 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.78 13.16 18.44 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.79 108.83 2.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.166 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.9 p30 43.27 72.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.804 0.811 . . . . 0.0 111.914 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.8 tt -106.01 128.07 53.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.604 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . 13.9 t70 -62.69 144.03 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.407 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -65.23 -27.09 68.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 111.648 -176.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.18 -6.5 59.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 110.791 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG3' ' HB3' ' A' ' 87' ' ' ASP . 9.4 mtmm -106.21 12.95 29.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 109.656 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HA ' HD21 ' A' ' 86' ' ' LEU . 29.0 tpt85 -73.26 102.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.774 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' OD1' HG23 ' A' ' 95' ' ' VAL . 12.2 t70 -68.78 118.2 58.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.94 -7.56 20.12 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 113.735 -171.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.35 3.36 25.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.639 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' ' 92' ' ' ASP . 48.6 t -104.06 90.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 pm0 -91.84 149.4 38.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.957 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 22.4 Cg_exo -65.24 115.17 3.17 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 111.311 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.7 Cg_exo -62.64 163.78 20.37 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.161 2.574 . . . . 0.0 112.677 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.2 t -74.44 94.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.66 177.28 8.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.16 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' HD2' ' A' ' 103' ' ' ARG . 14.3 t70 -69.03 132.69 90.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.752 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.2 Cg_exo -60.66 -8.84 9.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.653 2.902 . . . . 0.0 114.374 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.501 ' HD2' ' OD1' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -59.84 -27.15 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.96 0.346 . . . . 0.0 110.523 175.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -54.83 -40.96 70.13 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.11 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.19 -10.79 59.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.856 0.36 . . . . 0.0 111.25 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.43 -34.03 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.72 -22.33 12.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -84.28 128.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.838 0.351 . . . . 0.0 110.571 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -99.66 112.53 24.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.164 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.77 114.63 28.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -119.97 167.29 12.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.209 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 96.4 m -115.47 120.49 39.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.7 p -65.04 136.62 56.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.988 0.423 . . . . 0.0 111.3 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.03 172.24 9.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -57.11 -20.09 23.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.199 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -81.24 -3.06 51.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.554 0.216 . . . . 0.0 111.264 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.98 49.85 38.59 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -135.72 140.12 44.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.439 -0.381 . . . . 0.0 111.149 -171.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 43.4 p90 -128.62 137.33 51.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 169.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.93 121.92 22.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.136 -169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 124' ' ' ILE . 62.6 m-85 -133.73 136.77 44.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 6.2 p-10 -127.82 -177.94 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 171.112 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 31.4 m80 65.13 27.55 12.36 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -175.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 121' ' ' PHE . 49.6 mm -93.27 122.06 63.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.238 -171.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HB3' ' HB2' ' A' ' 39' ' ' GLN . 17.3 Cg_exo -67.55 165.91 25.72 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.908 2.405 . . . . 0.0 111.327 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -98.11 115.11 27.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.01 0.433 . . . . 0.0 110.84 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.5 -168.11 38.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.9 p -97.05 130.31 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.73 0.3 . . . . 0.0 110.793 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.77 154.6 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.046 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -105.36 118.07 35.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.03 105.47 17.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 9.6 t -109.47 135.24 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.924 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.9 m -147.13 129.11 15.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.608 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -90.08 91.81 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 109.964 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.615 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 40.1 tp -110.05 109.83 20.52 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.9 p -134.4 129.94 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.239 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.615 ' CZ3' ' HG ' ' A' ' 135' ' ' LEU . 28.2 p90 -136.27 140.52 43.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.966 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 17.9 p -88.26 122.24 31.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.234 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.13 128.64 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.577 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 23.8 pt20 -82.44 106.66 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.337 0.589 . . . . 0.0 110.394 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 p -112.31 115.68 29.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.367 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.6 t70 62.12 26.03 15.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.84 -22.28 38.88 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.195 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -94.81 118.87 32.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.2 m -83.44 116.66 22.62 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.636 -176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.27 152.92 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.9 m -87.25 93.68 9.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.15 120.94 21.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.076 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.63 -152.59 16.81 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.732 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 150.64 -158.81 27.85 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 25.0 m -92.3 102.53 15.03 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.6 p -90.26 131.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.885 0.374 . . . . 0.0 110.167 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.88 109.58 11.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.056 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -110.09 134.44 52.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.251 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.87 121.37 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.175 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.1 t -123.53 136.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.5 t -111.86 110.69 21.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.641 0.734 . . . . 0.0 110.513 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.35 108.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.369 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.8 m -134.64 36.3 3.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.376 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.16 148.8 19.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.305 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 22.4 p -98.48 16.55 21.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.334 0.588 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.465 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 52.5 mt-30 -123.59 163.28 35.61 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.626 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 96.4 Cg_exo -44.17 109.61 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.238 2.625 . . . . 0.0 113.63 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -95.22 112.87 24.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.561 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.95 103.75 9.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.449 . . . . 0.0 110.294 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.51 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 60.0 t -115.25 119.01 60.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.493 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 90.7 mt -92.07 108.79 20.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 50' ' ' LEU . 39.4 tp -80.53 96.42 6.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 0.0 109.46 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 13.8 t -160.66 145.95 14.56 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.49 ' HE ' ' C ' ' A' ' 170' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 91.2 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 6.5 Cg_exo -72.73 115.96 4.54 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.678 2.252 . . . . 0.0 111.526 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -70.3 -37.54 74.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -172.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -81.86 -39.99 0.96 Allowed Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.629 ' HG2' ' HB2' ' A' ' 28' ' ' PRO . 76.8 Cg_exo -55.04 1.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.839 2.359 . . . . 0.0 115.067 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.52 -11.84 54.63 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.948 -0.47 . . . . 0.0 110.447 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -59.36 -25.25 64.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.008 173.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 20.6 tt0 -73.54 -10.97 60.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.917 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.65 -1.38 18.68 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.53 9.08 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 111.003 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.79 6.76 32.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.351 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -99.03 146.99 25.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.606 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -122.66 155.51 36.24 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -96.54 0.44 50.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.71 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -78.07 94.18 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.293 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -150.84 140.67 8.07 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.05 20.79 35.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.883 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.63 140.98 25.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.404 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.13 111.06 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 124' ' ' ILE . 67.5 mt -93.45 122.2 44.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.747 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 90.7 m-20 -114.47 103.6 11.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -116.25 139.34 15.2 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.309 -172.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -120.99 130.9 53.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 168' ' ' LEU . 50.3 tp -101.57 123.5 45.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.721 -175.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' HB3' ' HD2' ' A' ' 61' ' ' LYS . 28.7 p90 -162.73 116.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.305 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 169' ' ' THR . 83.0 mt -105.7 149.27 26.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 0.0 110.996 -177.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.04 122.29 27.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.929 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -76.76 163.15 27.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.838 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.71 68.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.565 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 p -81.0 -2.97 50.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.441 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.68 32.15 25.19 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.251 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.25 156.33 18.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.52 107.76 23.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.885 0.374 . . . . 0.0 110.437 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -104.84 125.74 51.2 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.5 mmmp? -73.0 -69.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.764 0.316 . . . . 0.0 111.581 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.31 101.2 2.23 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.192 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.4 m -109.89 138.58 46.06 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 61.39 32.24 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -101.72 130.1 48.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -84.84 118.06 24.26 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.263 0.554 . . . . 0.0 111.641 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.01 119.72 42.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.747 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.36 116.42 28.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -99.63 100.89 11.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 108' ' ' VAL . 44.2 mt-10 -114.75 133.52 22.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.353 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 21.7 Cg_endo -61.62 131.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.961 2.441 . . . . 0.0 112.659 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.46 83.59 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.382 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.512 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 58.6 p -92.39 -176.67 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.983 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 p -68.14 -34.54 76.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.547 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.49 -39.1 71.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.494 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 81.1 mmm -74.03 -17.36 60.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.175 -177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 50.7 tptt -63.46 -42.42 98.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.345 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -73.64 -40.0 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.633 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -64.16 -37.63 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -66.62 -34.19 77.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.742 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.07 63.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 47.9 mtpt -84.85 -22.79 29.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.12 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -130.27 -82.54 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.242 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.56 -139.75 21.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.374 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.505 ' HB3' ' H ' ' A' ' 153' ' ' THR . 7.6 p30 -97.0 120.0 36.52 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -142.77 125.0 15.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 111.782 -171.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.41 146.19 49.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.542 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.32 64.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.667 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.28 -23.3 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 111.224 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -120.42 33.09 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.37 0.605 . . . . 0.0 110.457 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 86' ' ' LEU . 22.8 tpp85 -69.64 106.64 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.273 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.6 t70 -74.84 119.5 77.09 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 -177.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 86.7 Cg_endo -96.61 12.88 1.06 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.256 2.637 . . . . 0.0 112.325 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.43 -48.86 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 105.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.938 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 29.7 pt20 -85.55 136.35 37.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.034 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 6.5 Cg_exo -74.04 119.35 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.795 2.33 . . . . 0.0 111.506 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 22.4 Cg_exo -66.48 155.3 70.81 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.958 2.439 . . . . 0.0 112.266 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -70.05 105.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.762 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -87.1 169.2 12.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.292 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 12.9 t70 -62.02 135.86 94.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.373 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 46.2 Cg_exo -58.36 -13.69 17.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.758 2.972 . . . . 0.0 114.265 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 21.5 mmt85 -55.59 -26.42 43.72 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 111.181 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -58.52 -34.37 70.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.589 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -19.59 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 111.212 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.65 -38.13 10.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 46.6 m-85 -85.84 -32.47 21.71 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 70' ' ' GLU . 84.5 t -74.94 106.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.577 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -94.32 129.16 41.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.96 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.79 124.57 51.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -111.23 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.397 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.5 m -93.18 119.48 32.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.391 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.528 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 67.3 p -64.18 127.54 31.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -78.52 -95.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -97.79 -68.0 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.691 -171.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.09 6.38 16.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.375 . . . . 0.0 111.005 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.528 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 82.8 54.73 3.15 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.435 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -137.28 152.33 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -155.53 164.99 37.93 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.322 0.389 . . . . 0.0 110.264 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.24 158.5 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.699 0.285 . . . . 0.0 110.78 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -140.86 140.24 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.051 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -110.96 165.35 11.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.6 m80 63.01 70.72 0.54 Allowed 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.59 0.556 . . . . 0.0 111.178 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 50.2 mm -121.95 108.39 34.68 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.818 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.493 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 16.3 Cg_endo -61.06 137.48 71.97 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.168 1.912 . . . . 0.0 110.845 173.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -66.22 131.05 45.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.791 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.54 -163.57 36.28 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.713 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.5 p -104.23 132.99 49.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 111.084 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 95.7 m-85 -135.69 151.43 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.79 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.405 ' CE1' HD13 ' A' ' 155' ' ' LEU . 22.2 m-85 -101.97 110.73 22.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 156' ' ' VAL . 20.1 mt -94.35 107.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -115.06 136.37 53.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.113 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.0 m -138.56 139.79 38.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.462 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.04 91.65 8.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.485 . . . . 0.0 109.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.4 tp -125.65 96.55 4.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.562 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.411 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.4 t -131.34 142.98 50.17 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.704 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.403 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 44.2 p90 -138.24 155.35 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.224 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -108.25 146.07 33.39 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.824 0.345 . . . . 0.0 110.636 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.11 51.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.108 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -92.19 102.44 14.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.931 0.396 . . . . 0.0 110.4 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -107.6 127.71 53.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.675 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.16 -78.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.744 0.653 . . . . 0.0 111.154 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.94 19.87 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -133.71 159.57 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.3 m -93.55 113.39 25.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.808 0.337 . . . . 0.0 110.164 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.8 pt -98.18 162.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.503 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.9 m -113.57 123.83 50.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.403 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 54.1 mt-10 -118.24 119.96 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.884 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.84 179.28 24.46 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.121 -1.038 . . . . 0.0 112.579 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 165.8 -133.21 2.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 p -84.14 102.81 12.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.029 0.443 . . . . 0.0 110.222 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.66 97.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.75 0.786 . . . . 0.0 109.634 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 8.2 m -101.11 111.47 23.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.07 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -109.67 135.26 50.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.355 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.3 tp -80.27 107.83 13.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.066 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 131' ' ' ILE . 98.9 t -107.28 135.81 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.308 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.3 m -123.89 108.72 12.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.704 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.1 96.68 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -86.64 -29.81 22.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.259 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.57 15.72 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.368 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 6.0 m -82.62 56.51 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.408 0.623 . . . . 0.0 110.432 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.491 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 70.5 mt-30 -135.63 172.65 6.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 53.4 Cg_exo -53.87 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.237 1.958 . . . . 0.0 111.953 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -106.46 104.61 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.65 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 28.9 ttpp -82.16 110.83 17.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.501 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.9 t -105.96 113.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.383 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.92 102.99 15.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.717 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 50' ' ' LEU . 29.0 tp -81.75 94.66 7.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.534 ' HA ' HD23 ' A' ' 52' ' ' LEU . 15.3 t -156.82 172.93 17.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.534 -173.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.569 175.43 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.49 163.19 35.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.592 2.195 . . . . 0.0 112.652 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.1 82.72 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.9 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 86.2 m-85 -141.77 137.66 16.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.141 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' PHE . 6.9 Cg_exo -73.78 170.77 19.26 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.162 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -79.5 7.52 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -62.99 -22.27 66.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.03 -30.43 71.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.231 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.87 -22.4 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.07 10.93 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.927 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.91 17.76 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.685 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 126.09 27.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.805 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' HB2' ' CB ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -82.27 -175.86 5.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.949 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -135.84 -54.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.204 0.526 . . . . 0.0 111.519 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.22 126.26 39.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.076 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 125' ' ' PRO . . . -174.92 138.58 4.41 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.129 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.99 33.85 5.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.889 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.22 83.86 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.735 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 66.4 t -82.42 110.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.5 mt -111.36 117.7 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -102.29 106.89 17.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.633 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.22 130.86 9.84 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.984 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.0 115.92 29.13 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 168' ' ' LEU . 32.5 tp -94.17 133.64 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.239 -173.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -170.97 124.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.356 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -110.99 150.43 29.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.01 132.82 36.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.643 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 t -81.63 157.22 24.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.716 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 -8.66 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.135 0.493 . . . . 0.0 110.706 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 m -93.4 -0.14 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.43 41.85 19.72 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.424 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.88 152.39 36.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.39 116.63 46.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 111.18 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 9.3 mm100 -94.29 123.26 37.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.963 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mmtt -82.88 -63.47 1.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.042 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.66 95.09 1.07 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.347 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -96.2 110.08 22.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 56.31 70.24 0.66 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.843 0.83 . . . . 0.0 109.367 -173.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -123.92 134.19 53.58 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.517 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -90.49 126.03 35.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.473 0.654 . . . . 0.0 112.59 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 60.4 t -102.42 116.88 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.259 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.2 123.13 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -100.61 99.44 10.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.86 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -108.29 141.7 23.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.009 0.433 . . . . 0.0 111.383 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 38.2 Cg_endo -67.09 131.62 25.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.013 2.475 . . . . 0.0 112.985 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -73.54 112.65 9.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 p -139.01 164.01 30.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.224 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.6 m -67.67 -23.67 65.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.94 0.4 . . . . 0.0 110.315 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.28 -41.41 96.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -80.38 -27.64 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.428 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -52.35 -51.4 59.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.655 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.0 66.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.88 -36.18 56.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.097 0.475 . . . . 0.0 110.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.668 ' HE1' HG21 ' A' ' 153' ' ' THR . 50.9 t80 -67.21 -32.7 73.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.076 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.77 68.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.988 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.33 -64.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -94.79 -93.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.06 -135.02 37.11 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.076 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.0 p-10 -76.14 114.4 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.029 0.442 . . . . 0.0 109.834 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -148.65 132.66 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.307 -173.228 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -62.51 143.45 57.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.409 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.01 -22.12 66.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.717 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.54 -12.87 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.447 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.556 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 48.3 pttt -127.04 20.01 6.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.283 0.563 . . . . 0.0 109.678 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -79.47 93.32 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.656 -178.513 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.45 118.39 61.9 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.165 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.73 -10.71 7.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.619 2.213 . . . . 0.0 112.59 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.78 -43.98 11.47 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -74.12 90.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.376 0.608 . . . . 0.0 109.936 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.05 149.0 49.27 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.17 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 9.9 Cg_endo -53.4 150.59 26.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.375 2.717 . . . . 0.0 112.698 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 9.9 Cg_exo -71.72 -163.49 0.14 Allowed 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 123.069 2.513 . . . . 0.0 112.168 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.5 t -75.57 103.33 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.84 0.353 . . . . 0.0 110.13 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.1 164.0 13.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 17.8 t70 -72.64 127.9 89.19 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.339 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.84 -6.63 11.44 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.792 2.328 . . . . 0.0 112.915 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -83.96 -6.96 59.52 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 110.377 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' ASP . 15.9 mtm105 -57.43 -30.37 64.93 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.081 175.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.48 62.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.9 m -95.23 -39.57 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -79.94 -35.07 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.866 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -77.16 129.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.444 ' NH1' HG12 ' A' ' 124' ' ' ILE . 64.9 mtp180 -90.99 130.45 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.876 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.88 118.7 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.13 116.72 31.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.5 m -94.89 130.35 41.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.486 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.2 p -66.7 124.11 21.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.664 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.02 -60.36 3.43 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.849 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -163.27 -56.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.771 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 17.4 m120 -86.92 31.49 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.675 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.437 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 53.8 57.33 16.52 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.42 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 118' ' ' ARG . 39.8 ttp180 -135.66 150.86 49.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 48' ' ' GLY . 28.2 p90 -145.72 124.21 12.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.268 0.556 . . . . 0.0 109.739 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -111.4 124.03 51.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.953 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.546 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 50.2 m-85 -105.13 144.06 32.44 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.45 150.25 30.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.217 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.8 m80 60.37 67.41 0.85 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.292 0.568 . . . . 0.0 110.716 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.444 HG12 ' NH1' ' A' ' 109' ' ' ARG . 43.2 mt -129.0 125.02 22.71 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.882 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.534 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 20.6 Cg_endo -61.36 133.69 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.307 2.004 . . . . 0.0 111.207 174.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -65.87 146.62 54.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.22 -176.36 35.22 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 5.5 t -96.26 130.84 43.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.052 0.453 . . . . 0.0 110.484 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 97.6 m-85 -140.0 159.44 42.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 155' ' ' LEU . 45.6 m-85 -105.43 126.97 52.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.957 174.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 153' ' ' THR . 64.5 mt -94.2 104.24 15.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 m -114.97 117.41 30.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.001 0.429 . . . . 0.0 110.59 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 13.2 p -134.19 133.34 40.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -100.33 100.88 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.048 0.451 . . . . 0.0 110.069 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 54.0 tp -108.83 102.0 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 p -115.14 138.17 51.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 42.9 p90 -145.66 157.01 44.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.6 m -102.13 132.31 48.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.918 0.39 . . . . 0.0 110.438 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 170.83 10.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.785 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -104.88 122.18 45.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.728 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.6 t -92.57 -88.98 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.601 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -111.68 15.97 20.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.556 0.693 . . . . 0.0 109.608 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 124.61 -18.85 7.15 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -88.46 145.12 25.95 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.9 m -92.91 112.67 24.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.1 pt -106.37 151.08 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.726 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.0 m -96.7 110.56 22.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.164 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.409 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 38.7 mt-10 -97.12 178.14 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 85.13 -134.11 12.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.585 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.31 -158.26 16.99 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 16.5 p -88.93 103.24 15.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.105 0.479 . . . . 0.0 110.218 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.91 123.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.948 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.668 HG21 ' HE1' ' A' ' 80' ' ' TYR . 10.1 m -117.19 128.07 54.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -110.83 119.35 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 130' ' ' TYR . 61.9 tp -80.86 116.9 21.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.32 130.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 3.4 t -118.07 94.59 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.482 0.658 . . . . 0.0 110.252 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 46' ' ' ILE . 64.9 t -80.1 96.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.046 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.3 m -108.32 61.46 0.61 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.554 0.692 . . . . 0.0 109.744 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 173.59 -158.57 27.88 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.369 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 49.7 m -143.91 29.81 1.34 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 111.067 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.61 150.52 37.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.897 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.6 Cg_exo -60.0 105.74 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.449 2.099 . . . . 0.0 111.134 174.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -99.31 111.45 23.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 165' ' ' LYS . 6.5 ttpm? -79.02 117.51 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.632 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.633 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.9 t -125.38 127.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.358 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.923 0.392 . . . . 0.0 110.038 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.497 HD23 HD13 ' A' ' 50' ' ' LEU . 34.7 tp -81.79 85.08 6.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.775 0.798 . . . . 0.0 109.314 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.0 t -137.78 174.08 10.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.666 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.41 HH22 ' CG ' ' A' ' 87' ' ' ASP . 56.9 ttt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.526 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.118 0.485 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.9 -168.89 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.244 2.63 . . . . 0.0 112.712 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t70 -139.03 164.48 29.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 45.3 m-85 105.8 -50.22 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 125.207 1.403 . . . . 0.0 114.125 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.615 ' HD2' ' C ' ' A' ' 29' ' ' ASP . 50.4 Cg_endo -68.52 52.98 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 122.354 2.036 . . . . 0.0 113.445 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.61 -28.48 37.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.289 0.566 . . . . 0.0 110.537 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -72.85 -7.43 50.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.509 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.37 -20.82 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -68.17 -29.81 68.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.28 8.74 38.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.59 -16.62 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.781 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -90.65 -29.78 17.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.536 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 66.93 -164.6 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -122.24 -30.98 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.02 112.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 0.0 110.931 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -157.22 148.78 18.95 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.707 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 37.18 3.74 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.375 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -82.5 137.73 17.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.118 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.14 120.81 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 65.3 mt -116.81 127.81 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.765 0.316 . . . . 0.0 111.021 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.06 107.76 18.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.562 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -113.99 122.47 5.75 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.075 -1.06 . . . . 0.0 113.728 -171.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.46 124.56 48.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 168' ' ' LEU . 30.9 tp -105.28 125.54 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 29.4 p90 -161.03 113.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.464 0.65 . . . . 0.0 110.285 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 HD23 ' A' ' 135' ' ' LEU . 93.1 mt -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.352 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -91.29 132.76 35.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 28.4 p -73.57 161.88 29.86 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.2 -10.3 53.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.656 0.741 . . . . 0.0 109.511 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 t -79.53 -15.15 58.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.359 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.74 32.87 8.24 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.897 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.7 121.99 40.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 110.712 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -89.34 121.8 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 21.3 mm-40 -106.64 125.99 51.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.706 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 27.4 mmtp -76.12 -21.89 56.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 178.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.38 84.57 0.81 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.71 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -99.48 137.24 38.25 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.7 t30 54.65 49.73 17.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.927 0.87 . . . . 0.0 109.439 -173.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -119.91 125.57 48.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.834 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 110' ' ' GLU . 81.8 tttt -94.34 119.04 32.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.196 0.522 . . . . 0.0 110.941 -173.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.29 138.48 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.461 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.61 112.19 22.51 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.44 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 109' ' ' ARG . 53.4 tp -95.97 110.47 22.68 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.769 ' HG2' HG22 ' A' ' 108' ' ' VAL . 36.9 mt-10 -117.52 143.32 31.96 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.052 -172.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 27.3 Cg_exo -64.37 147.65 90.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.792 2.328 . . . . 0.0 111.894 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.08 69.07 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.41 0.624 . . . . 0.0 109.995 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 133.14 47.3 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.645 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 t -52.14 -35.96 49.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 110.953 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.04 -44.81 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mmm -77.12 -18.53 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.684 -175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.31 -40.97 87.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.21 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.834 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.68 -40.22 96.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.427 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 37.8 m-85 -85.13 3.46 38.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 112.053 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.55 -29.62 46.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 164.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' ' 82' ' ' LYS . 30.5 mmmt -85.1 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.067 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -102.84 22.45 13.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.896 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -75.81 -68.95 1.45 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.971 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -111.18 93.79 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.018 0.437 . . . . 0.0 109.839 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.8 tt -136.83 113.4 10.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.574 -175.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.56 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . 3.4 m-20 -62.92 151.81 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.58 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.99 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.5 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.634 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 91.7 mttt -88.83 -3.3 58.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.463 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -61.9 103.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 95' ' ' VAL . 23.1 t70 -103.64 132.77 20.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.264 -177.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -12.18 32.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.028 2.485 . . . . 0.0 113.555 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -91.65 -17.28 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 110.15 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 92' ' ' ASP . 31.2 t -94.84 93.18 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.05 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 91.7 mt-30 -104.86 135.39 19.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.563 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 8.3 Cg_exo -72.41 121.31 7.36 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.858 2.372 . . . . 0.0 111.988 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.6 163.82 37.41 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.075 2.517 . . . . 0.0 112.17 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.31 117.0 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.7 170.43 8.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.479 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.471 ' OD1' ' HG2' ' A' ' 103' ' ' ARG . 13.0 t70 -68.89 136.53 89.85 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.898 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 35.4 Cg_exo -61.22 -5.08 4.61 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.567 2.845 . . . . 0.0 114.45 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.736 ' HA ' ' HE ' ' A' ' 103' ' ' ARG . 1.4 mmp_? -55.44 -29.45 58.67 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 110.047 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -57.14 -38.08 72.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.318 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.95 -8.66 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.2 m -116.2 -44.73 2.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.375 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.699 ' HE2' ' HD3' ' A' ' 103' ' ' ARG . 64.8 m-85 -77.16 -20.57 55.32 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.49 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.769 HG22 ' HG2' ' A' ' 70' ' ' GLU . 78.9 t -78.27 106.18 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 33.7 mtp180 -77.6 123.78 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 0.0 110.235 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 31.5 mt-10 -102.46 131.48 49.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.48 -175.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.83 155.99 47.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.9 m -117.25 127.12 53.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.973 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.447 HG22 ' HD1' ' A' ' 119' ' ' PHE . 24.2 p -68.91 141.14 55.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.97 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.5 -174.95 5.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.697 0.284 . . . . 0.0 110.692 176.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -60.65 -26.93 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -75.88 -11.51 59.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.706 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.06 40.37 51.22 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -137.37 153.34 50.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.154 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.447 ' HD1' HG22 ' A' ' 113' ' ' THR . 41.7 p90 -147.77 167.48 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.909 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.45 143.44 26.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 53.6 m-85 -120.07 154.72 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.982 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.99 159.39 42.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.337 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.495 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 36.2 t-80 64.0 58.17 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.427 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.487 HG12 HH11 ' A' ' 109' ' ' ARG . 67.2 mt -129.07 129.5 23.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 141.71 95.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.305 2.003 . . . . 0.0 111.1 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.29 133.74 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.323 0.582 . . . . 0.0 111.754 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.7 -174.39 43.34 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 63.3 m -82.93 132.91 35.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.094 0.447 . . . . 0.0 110.701 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 86.1 m-85 -135.27 168.78 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.328 0.585 . . . . 0.0 111.224 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -120.04 131.73 55.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.542 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 81.7 mt -101.06 104.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 m -98.7 129.17 45.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.81 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.1 m -143.55 127.93 17.84 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.881 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.23 91.36 7.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 52' ' ' LEU . 53.7 tp -119.65 102.82 8.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.498 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.1 t -131.02 143.9 51.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.194 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -146.8 164.12 33.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.141 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.0 m -96.89 125.04 41.05 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.826 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.16 124.1 51.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.487 . . . . 0.0 110.511 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -84.04 101.03 11.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.891 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.9 t -106.74 107.45 18.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.268 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t70 66.13 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.904 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.16 -1.35 2.29 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.886 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.14 141.83 47.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.098 0.449 . . . . 0.0 110.537 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 2.1 m -87.53 114.39 24.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 27.4 pt -93.69 145.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.4 m -86.92 103.15 15.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.15 0.5 . . . . 0.0 110.174 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 6.5 mm-40 -98.87 142.33 30.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.97 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.04 -166.79 41.07 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.661 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 146.7 -138.55 7.43 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 26.3 m -88.09 106.88 18.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.89 0.345 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.79 121.71 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.077 0.465 . . . . 0.0 110.125 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 29.3 m -110.3 121.79 46.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.902 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 167' ' ' LEU . 61.4 tttp -109.42 125.94 52.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.1 tp -80.13 120.07 23.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.335 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.78 122.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.891 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 87.6 m -87.53 105.05 17.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.317 0.58 . . . . 0.0 109.801 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.9 89.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.696 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.4 m -108.42 8.43 27.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.449 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 164' ' ' GLN . . . -91.69 94.14 1.9 Allowed Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.794 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.549 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.1 t -71.93 -28.54 63.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -84.27 158.51 60.81 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 170.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.59 101.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.935 2.424 . . . . 0.0 112.735 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.452 ' HB2' ' HA3' ' A' ' 160' ' ' GLY . 58.3 tt0 -96.45 112.58 24.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.566 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -84.55 115.99 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 110.728 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.562 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 64.0 t -116.23 117.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.914 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.491 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 6.6 mp -89.61 109.53 20.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.118 0.485 . . . . 0.0 109.914 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 50' ' ' LEU . 38.0 tp -77.34 98.72 5.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.676 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.428 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.5 t -167.36 170.9 11.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.438 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.773 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.1 -163.05 0.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.806 2.337 . . . . 0.0 111.38 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.601 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 t70 -78.44 -171.41 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -112.37 91.82 17.6 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 122.134 -0.354 . . . . 0.0 111.306 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 31.5 Cg_endo -97.79 115.59 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.704 2.936 . . . . 0.0 112.026 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -85.51 -6.27 59.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.317 0.579 . . . . 0.0 109.928 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -53.36 -41.24 65.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.528 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.9 -28.91 69.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.559 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB3' ' HE2' ' A' ' 107' ' ' TYR . 89.9 m-85 -85.17 -29.57 24.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.11 -20.83 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.68 31.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -100.47 -178.72 3.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.461 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -152.67 156.87 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -111.47 -11.3 14.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.83 95.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.615 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -151.74 146.56 15.44 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.759 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.69 17.7 6.07 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.96 135.04 25.88 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.081 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -108.74 106.3 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.8 mt -100.49 111.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.203 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 14.0 m120 -103.45 115.99 31.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.655 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -117.3 122.13 5.35 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.917 -172.602 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.55 109.26 21.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 168' ' ' LEU . 37.9 tp -88.04 132.84 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.739 0.304 . . . . 0.0 110.927 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' A' ' 59' ' ' ILE . 43.7 p90 -171.15 126.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.965 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.3 134.18 55.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.666 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -82.99 126.78 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.235 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 m -74.79 158.95 32.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.681 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -10.23 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.433 0.635 . . . . 0.0 110.154 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 p -93.15 8.87 38.36 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.493 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.85 64.08 3.07 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.768 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -148.57 163.18 38.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 51' ' ' TYR . 53.1 mt -109.59 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.118 0.485 . . . . 0.0 111.425 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 15.5 mm100 -94.65 109.63 21.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 169.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -75.85 -25.97 56.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.58 86.24 0.99 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.63 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -104.89 129.47 53.24 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 62.22 40.83 11.18 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.641 0.588 . . . . 0.0 110.135 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 m -112.92 136.88 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.364 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.29 120.95 26.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.214 0.53 . . . . 0.0 111.807 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.81 116.7 43.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.433 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 109' ' ' ARG . . . -102.4 126.42 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tt -116.28 129.71 56.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 108' ' ' VAL . 6.2 pt-20 -138.96 155.44 72.96 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.798 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 16.5 Cg_exo -68.27 136.3 36.82 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.048 2.499 . . . . 0.0 112.614 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.16 106.22 9.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -100.78 166.92 10.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -77.58 -22.43 50.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.681 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -73.75 -37.45 65.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.5 -3.54 34.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.476 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -55.84 -42.53 75.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -68.39 -46.22 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.161 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -63.93 -35.48 80.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.483 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' HE1' HG21 ' A' ' 153' ' ' THR . 90.2 t80 -62.83 -35.6 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 178.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.93 61.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 31.2 mmmt -72.84 -44.82 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.133 0.492 . . . . 0.0 110.319 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -124.69 -82.11 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.762 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.82 -128.17 42.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.929 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.3 p-10 -80.34 78.14 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.914 0.864 . . . . 0.0 109.904 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 91' ' ' ARG . 6.9 tt -106.14 114.79 29.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.157 -174.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.12 149.53 47.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.562 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.89 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.8 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 55.7 pttt -107.44 27.9 8.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . 16.3 tpp180 -67.51 101.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.1 t70 -77.04 119.76 78.84 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.903 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.0 Cg_endo -82.62 -9.0 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.785 2.323 . . . . 0.0 112.663 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.14 -43.44 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.624 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.63 110.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.42 0.629 . . . . 0.0 110.833 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -96.59 147.86 33.57 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.069 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.81 115.99 2.91 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.319 2.013 . . . . 0.0 111.63 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.38 174.94 11.31 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.875 2.383 . . . . 0.0 112.93 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.43 102.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.57 178.18 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.245 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.7 p-10 -73.42 156.74 88.71 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.972 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 2.6 Cg_exo -77.19 -8.91 17.7 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.883 2.389 . . . . 0.0 112.23 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -75.52 -25.69 57.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.007 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.2 mmp_? -44.44 -67.66 0.26 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.646 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -4.31 7.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.077 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.9 m -88.0 -43.7 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 0.0 110.448 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' A' ' 35' ' ' TYR . 65.7 m-85 -94.5 -21.31 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.82 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 99.1 t -68.47 114.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 75.2 ttt180 -101.37 130.82 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.415 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.61 122.61 47.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.092 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.65 117.34 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.484 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 m -82.32 120.1 24.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.583 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.522 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 28.4 p -62.95 149.04 45.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.99 -164.27 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.476 0.655 . . . . 0.0 111.643 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -58.36 -35.58 72.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.707 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -77.97 -68.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.522 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 141.54 42.67 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.755 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 ttt180 -121.32 154.02 36.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -141.62 137.16 31.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.738 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -125.68 134.5 51.8 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.516 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 67.9 m-85 -116.8 150.25 38.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.44 168.17 20.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 21.6 t-80 65.76 38.69 5.1 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.728 0.775 . . . . 0.0 110.356 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 46' ' ' ILE . 1.6 mp -100.42 120.52 56.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.574 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.447 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 36.7 Cg_endo -69.0 152.6 73.2 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.259 1.973 . . . . 0.0 111.2 174.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -67.44 142.62 56.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.799 0.333 . . . . 0.0 110.42 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.12 -177.57 27.24 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.588 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.4 m -101.29 132.26 46.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.961 0.38 . . . . 0.0 110.908 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 81.0 m-85 -133.93 162.1 32.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.092 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.49 ' CE1' HD13 ' A' ' 155' ' ' LEU . 55.9 m-85 -110.04 120.77 43.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.219 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HG21 ' A' ' 156' ' ' VAL . 59.2 mt -97.33 104.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 49.8 m -114.61 119.19 35.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 152' ' ' VAL . 37.5 t -125.33 131.87 52.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -96.06 91.31 5.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.39 0.614 . . . . 0.0 110.171 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -111.41 101.88 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.447 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.8 t -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.201 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.48 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 49.4 p90 -132.22 170.07 15.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.978 -175.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.5 p -117.4 123.41 46.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.51 137.34 53.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 67.5 mt-30 -85.47 110.51 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.04 0.448 . . . . 0.0 110.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.3 m -102.86 104.29 14.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 55.62 41.81 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.335 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.34 32.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.732 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -94.86 110.13 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.3 m -70.52 112.69 6.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.2 pt -106.0 152.2 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.1 m -99.11 112.21 24.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.268 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 37.7 mt-10 -104.19 150.3 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.6 178.12 45.32 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.361 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.12 -145.1 9.35 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 18.1 m -84.08 102.48 12.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 132' ' ' SER . 10.4 p -94.58 132.08 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.413 HG21 ' HE1' ' A' ' 80' ' ' TYR . 20.9 m -114.51 121.07 42.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.049 0.452 . . . . 0.0 110.852 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -109.54 117.25 33.47 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.379 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.0 tp -80.03 113.29 18.08 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.485 HG21 HD12 ' A' ' 131' ' ' ILE . 76.0 t -121.93 122.89 67.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 13.6 t -112.26 121.02 43.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.457 0.646 . . . . 0.0 109.579 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.41 112.69 27.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.222 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.1 p -66.62 -45.39 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.857 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -159.65 -167.63 20.54 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.352 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.459 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.5 m -83.91 58.24 4.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -120.15 167.08 13.33 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.047 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 107.47 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.73 2.287 . . . . 0.0 111.529 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -104.05 103.46 13.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.079 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.37 116.28 22.95 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.655 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.7 t -124.59 111.32 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.328 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.7 112.21 19.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 50' ' ' LEU . 29.8 tp -79.69 82.7 5.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.947 -177.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.1 t -140.41 -158.97 0.91 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.833 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 170' ' ' ARG . 7.2 tpt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.393 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' ' 31' ' ' PRO . 34.8 Cg_endo -93.68 140.77 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.378 2.718 . . . . 0.0 112.739 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.62 -17.7 59.03 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 111.24 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.0 m-85 -61.5 -56.68 31.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -175.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 84.3 Cg_endo -79.53 21.41 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.135 1.89 . . . . 0.0 113.937 -172.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -86.7 40.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 0.0 109.764 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -95.75 0.88 52.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.96 -19.53 27.12 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 104' ' ' ARG . 11.7 m-30 -67.5 -30.43 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.249 0.477 . . . . 0.0 110.715 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 8.16 31.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.402 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.71 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -80.54 109.98 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -153.73 -179.63 7.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 68.53 103.85 0.05 Allowed 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.119 0.887 . . . . 0.0 110.47 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.37 130.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.399 0.618 . . . . 0.0 111.527 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.96 -164.89 15.45 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.149 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.26 3.99 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.129 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.25 101.24 1.23 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 50.6 t -82.92 106.42 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -93.43 106.13 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 3.9 t-20 -128.7 133.88 48.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.395 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -178.06 -163.9 30.41 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.534 -1.317 . . . . 0.0 113.194 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.58 155.53 45.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.648 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.649 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 23.4 tp -117.53 130.12 56.22 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.676 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 38.4 p90 -167.99 129.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 169' ' ' THR . 91.7 mt -119.75 125.6 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.41 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.533 HG23 HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -82.34 123.79 29.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.096 0.475 . . . . 0.0 110.61 174.506 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.611 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 13.5 p -80.59 164.22 23.07 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.194 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.0 -20.51 65.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.615 0.721 . . . . 0.0 109.268 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -74.03 -7.32 52.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.832 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.01 24.18 53.23 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.096 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.84 136.39 53.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.667 0.27 . . . . 0.0 110.649 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 53' ' ' THR . 97.5 mt -89.66 119.23 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.359 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 16.0 mm100 -100.65 108.95 20.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.845 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 17.9 mmtt -69.67 -16.68 63.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.743 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.33 94.48 0.22 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -107.14 132.29 53.19 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.12 26.64 13.96 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.141 0.496 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -91.71 138.19 31.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.301 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 5.2 mptp? -86.82 115.68 24.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.96 0.409 . . . . 0.0 111.222 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 86.1 t -93.75 105.25 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.45 108.45 21.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 130' ' ' TYR . 10.2 tt -104.63 112.68 25.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HG22 ' A' ' 108' ' ' VAL . 14.0 pt-20 -129.76 162.74 51.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.64 135.44 45.35 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.1 2.534 . . . . 0.0 113.613 -174.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 100.68 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.012 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.9 p -109.45 171.15 7.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 7.8 t -71.06 -30.54 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.291 0.567 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -68.9 -40.12 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.543 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -74.46 -32.8 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.756 -175.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 74' ' ' SER . 64.1 pttt -62.9 -26.68 68.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.645 0.26 . . . . 0.0 111.424 -176.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.26 67.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.109 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.76 -40.05 88.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.632 ' HE1' ' HB ' ' A' ' 153' ' ' THR . 72.1 t80 -61.08 -33.42 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.57 91.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.927 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.836 ' HE2' ' HA ' ' A' ' 82' ' ' LYS . 7.8 mmpt? -85.0 -53.53 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.385 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.08 80.85 1.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.676 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.13 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -111.51 106.61 15.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -134.8 121.49 20.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.946 -173.074 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -57.42 144.14 37.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.375 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.311 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.8 84.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.415 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 4.9 pttm -94.95 27.68 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.032 0.444 . . . . 0.0 110.958 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.568 ' HA ' HD21 ' A' ' 86' ' ' LEU . 8.1 tpt180 -72.31 107.5 4.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.719 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.39 118.98 71.07 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.831 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.75 -2.3 8.23 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.864 2.376 . . . . 0.0 113.146 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.05 -49.97 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 109.945 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.98 97.08 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.762 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -88.37 146.9 38.78 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.408 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 54.2 Cg_exo -52.4 132.18 43.56 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.06 2.507 . . . . 0.0 112.426 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.4 Cg_exo -58.36 142.92 98.01 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.139 2.559 . . . . 0.0 112.676 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -71.63 115.45 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.262 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' NH1' ' A' ' 104' ' ' ARG . 87.6 mt -97.2 167.62 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.574 ' OD1' ' HG3' ' A' ' 103' ' ' ARG . 12.5 t70 -72.15 140.52 82.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.999 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.71 -10.92 10.35 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.542 2.828 . . . . 0.0 114.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.578 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 78.3 mtt180 -49.95 -48.51 51.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 176.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 ptm180 -58.67 -39.54 80.95 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.921 0.391 . . . . 0.0 111.317 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -76.09 -39.06 56.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.6 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -84.83 -9.76 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.713 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 104' ' ' ARG . 42.9 t -69.95 118.95 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.021 0.439 . . . . 0.0 110.558 177.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.668 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.0 147.78 29.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.272 0.558 . . . . 0.0 110.962 -178.06 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -139.68 152.97 47.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.598 -176.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.7 m -96.94 115.89 28.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 p -56.59 141.39 43.39 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 112.011 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.41 168.53 8.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.575 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.37 64.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.363 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -95.35 19.91 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.541 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 56.86 60.48 8.94 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.196 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -137.32 150.47 47.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.38 135.42 42.64 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.145 0.497 . . . . 0.0 110.71 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.81 108.99 12.52 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.06 143.53 45.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.818 0.342 . . . . 0.0 111.673 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 7.8 p-10 -159.26 -174.44 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 78.6 m80 70.4 30.72 3.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.791 0.436 . . . . 0.0 110.416 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.8 mt -121.17 127.42 26.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.399 -0.188 . . . . 0.0 111.123 -170.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.65 149.26 79.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.458 2.105 . . . . 0.0 111.256 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 3.2 p-10 -68.75 150.62 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.896 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.08 -172.32 33.38 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.683 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.5 p -94.24 128.01 40.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.654 0.264 . . . . 0.0 110.783 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -131.09 158.84 39.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.976 0.417 . . . . 0.0 111.188 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 26.3 m-85 -111.27 128.9 56.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.043 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.416 HG23 HG13 ' A' ' 67' ' ' VAL . 52.9 mt -101.84 104.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -105.48 127.06 52.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.1 p -147.76 120.9 8.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.914 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 37.7 tt0 -90.1 91.24 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.846 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 52' ' ' LEU . 48.5 tp -105.56 100.83 10.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.28 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 t -134.18 144.66 48.62 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.987 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.9 p90 -147.52 142.92 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.704 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.1 m -84.38 111.87 19.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.55 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -91.63 116.41 28.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.2 p -72.61 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.277 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -115.87 14.26 16.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.763 0.792 . . . . 0.0 108.911 174.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.32 -25.98 2.59 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.853 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -85.14 131.09 34.49 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -93.6 110.69 22.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.033 0.444 . . . . 0.0 110.293 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.7 pt -109.88 140.23 29.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.606 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 7.9 m -81.47 95.47 7.09 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.92 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.611 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 4.4 mt-10 -84.26 164.74 18.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.526 -177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.02 -149.36 31.05 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.777 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 147.89 -164.73 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.037 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 2.2 m -85.23 102.62 13.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.25 119.66 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.523 0.678 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.632 ' HB ' ' HE1' ' A' ' 80' ' ' TYR . 17.0 m -114.91 123.55 49.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.515 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -109.41 135.34 50.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.748 0.309 . . . . 0.0 110.433 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.9 tp -80.26 124.03 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.016 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.72 127.52 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.97 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.0 m -112.01 107.88 17.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 40.3 t -104.76 98.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.5 t -101.1 6.75 43.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.89 0.376 . . . . 0.0 110.8 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -141.77 157.88 26.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.471 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.7 m -87.83 35.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.046 0.45 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -119.12 154.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.061 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.1 Cg_exo -60.25 110.06 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.743 2.295 . . . . 0.0 112.692 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -96.96 127.2 42.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.437 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 12.0 tptt -84.51 121.56 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.835 0.35 . . . . 0.0 110.075 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.604 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 52.7 t -119.22 114.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.124 0.488 . . . . 0.0 110.882 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.13 112.29 24.1 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 22.0 tp -85.09 95.92 9.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.373 0.606 . . . . 0.0 110.1 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.425 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.6 t -155.26 169.64 23.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.727 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.133 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 98' ' ' PRO . 91.1 mt . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.33 0.586 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.09 148.37 62.81 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.837 2.358 . . . . 0.0 111.882 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.08 105.21 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.147 0.499 . . . . 0.0 111.692 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' H ' ' HE1' ' A' ' 75' ' ' TYR . 66.2 m-85 -127.37 149.51 70.06 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 173.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.76 -169.91 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.624 2.216 . . . . 0.0 112.413 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -79.58 3.67 18.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -63.38 -41.01 98.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.225 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -68.98 -37.54 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -70.54 -32.81 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.85 -2.33 57.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.04 -4.88 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.531 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.6 p -79.09 74.54 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.339 0.59 . . . . 0.0 110.777 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -121.93 108.28 13.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.133 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 125' ' ' PRO . 5.0 tm0? -162.65 98.86 1.0 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 t -74.31 102.64 2.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.023 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.42 146.1 17.61 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.514 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.4 44.06 1.66 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.786 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.22 104.94 1.36 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.539 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.24 105.95 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 158' ' ' VAL . 50.5 mt -106.25 119.82 56.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.958 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -103.96 117.45 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.994 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -115.18 123.01 5.8 Favored Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.049 -174.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 167' ' ' LEU . 3.1 m-20 -110.56 112.16 23.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 25.2 tp -95.07 132.47 39.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.462 ' HE1' HD12 ' A' ' 167' ' ' LEU . 21.2 p90 -161.74 127.28 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 170.318 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.46 132.39 54.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.599 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 117.31 22.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.361 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.437 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 5.0 m -64.28 154.63 34.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.782 177.15 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.59 67.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.415 0.626 . . . . 0.0 109.822 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -73.68 -19.33 60.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.895 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.95 47.06 2.14 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.631 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.72 149.09 47.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -103.12 108.86 25.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 120.978 0.418 . . . . 0.0 110.613 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -105.95 117.03 32.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 33.0 mmtp -66.93 -72.15 0.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.45 97.45 0.18 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.663 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 p -105.82 135.91 46.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.12 31.37 19.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 134' ' ' GLU . 36.6 m -88.84 132.99 34.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.61 -174.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 133' ' ' SER . 5.9 tppt? -85.35 114.18 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.285 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -103.27 112.1 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.31 121.99 41.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.365 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 131' ' ' ILE . 67.9 tp -117.06 114.46 23.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.43 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.609 ' HB3' HG22 ' A' ' 108' ' ' VAL . 17.1 pt-20 -142.08 154.07 64.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.834 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.3 140.07 43.46 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.791 2.327 . . . . 0.0 112.96 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.6 89.48 5.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -94.22 162.8 13.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -60.79 -23.19 64.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 0.0 111.357 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.542 ' HE1' ' H ' ' A' ' 30' ' ' PHE . 8.8 t80 -72.38 -20.09 61.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.573 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 87.9 mmm -93.24 6.66 47.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.014 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -55.71 -58.36 8.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.36 -16.95 50.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 111.327 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.8 -45.49 71.11 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -72.04 -34.15 68.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.462 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.2 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.666 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -84.99 -25.08 27.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.95 -91.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.049 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.98 -117.6 11.86 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.953 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 153' ' ' THR . 3.2 p30 -92.72 114.12 26.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.428 0.632 . . . . 0.0 110.635 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -142.19 132.82 25.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.598 -179.502 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.85 175.18 10.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.277 0.56 . . . . 0.0 111.588 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -90.94 4.7 51.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.864 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.72 10.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -98.68 23.42 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.539 ' HA ' HD21 ' A' ' 86' ' ' LEU . 23.2 tpp180 -66.32 105.99 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.714 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -91.27 119.0 68.82 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.084 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.17 1.72 8.68 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.777 2.318 . . . . 0.0 113.354 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.81 -39.05 7.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.737 0.304 . . . . 0.0 110.866 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 99.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 109.909 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.9 pt20 -103.4 139.71 20.37 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.237 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 17.2 Cg_exo -67.55 136.5 39.66 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.077 2.518 . . . . 0.0 112.204 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.46 ' HG2' HD11 ' A' ' 27' ' ' LEU . 7.9 Cg_exo -71.83 144.54 43.79 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.77 2.313 . . . . 0.0 112.24 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.12 104.79 15.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.5 -165.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.012 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.624 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 27.3 t70 -60.04 137.19 90.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.424 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.81 -11.87 16.35 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.572 2.848 . . . . 0.0 114.428 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 1.7 mpp_? -60.76 -27.15 67.75 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.176 -0.328 . . . . 0.0 110.832 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 108' ' ' VAL . 73.3 mtp180 -57.3 -39.72 76.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 176.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.74 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 111.377 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m -87.52 -34.69 18.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -88.72 -29.91 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 70' ' ' GLU . 97.8 t -68.4 102.73 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.97 118.88 20.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.85 116.27 32.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.297 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -113.26 132.69 55.44 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.198 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.3 m -96.06 112.06 23.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -55.43 149.72 12.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.812 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.56 -170.31 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.192 0.52 . . . . 0.0 110.15 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.36 -18.06 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.89 0.85 56.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.559 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.49 31.0 73.29 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -113.81 148.89 35.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.593 -0.304 . . . . 0.0 110.444 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 45.7 p90 -137.97 150.09 46.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.79 133.83 38.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.908 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 66.6 m-85 -134.89 147.49 49.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -134.41 163.87 28.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 53.94 80.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.701 0.626 . . . . 0.0 110.94 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 121' ' ' PHE . 64.6 mt -129.37 130.1 23.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.247 -176.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.592 ' HB2' ' OH ' ' A' ' 129' ' ' TYR . 31.6 Cg_exo -59.74 147.16 93.34 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.582 2.188 . . . . 0.0 111.245 173.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -89.64 129.92 36.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.09 -168.94 38.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.524 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 29.4 m -89.35 126.71 35.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.859 0.361 . . . . 0.0 110.488 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 125' ' ' PRO . 70.3 m-85 -129.22 153.15 48.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.043 0.449 . . . . 0.0 111.198 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.2 120.76 41.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.152 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 80.0 mt -103.7 106.6 20.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 m -113.59 119.25 36.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.156 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 28.1 p -111.74 133.79 53.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 151' ' ' THR . 42.8 mt-10 -90.09 91.39 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.192 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -126.85 98.15 5.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.734 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' THR . . . . . 0.407 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 6.3 t -132.07 139.03 48.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.861 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.494 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.0 p90 -139.09 156.05 47.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -173.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 p -101.7 111.42 23.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.178 0.513 . . . . 0.0 109.811 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.97 141.71 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -102.68 102.43 12.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.938 0.399 . . . . 0.0 110.3 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -79.67 86.05 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.368 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.2 t0 49.64 54.4 11.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.522 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 99.29 -14.04 61.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.209 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -101.3 107.15 18.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.013 0.407 . . . . 0.0 110.239 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 8.1 m -83.48 109.79 17.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.1 pt -114.65 165.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.727 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.2 m -115.44 101.49 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.494 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.1 mt-10 -92.61 176.59 6.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.04 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.68 -152.31 38.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.784 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.407 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 140.04 -129.95 4.47 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.73 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 134' ' ' GLU . 3.1 p -116.09 105.69 12.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.667 0.27 . . . . 0.0 110.301 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.7 135.95 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 26.2 m -115.76 128.06 55.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.627 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 169' ' ' THR . 16.3 tppt? -109.61 125.73 52.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 60.3 tp -80.67 110.63 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.81 122.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 90.7 m -109.37 109.14 19.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 46' ' ' ILE . 37.3 t -90.91 106.23 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.181 -178.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -113.51 24.03 12.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.45 141.77 8.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.882 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.491 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.7 p -83.36 -3.4 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.473 . . . . 0.0 110.786 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.473 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 75.6 mt-30 -67.87 159.91 76.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 17.4 Cg_endo -59.32 115.27 2.47 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.652 2.235 . . . . 0.0 112.174 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -95.29 136.21 35.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.546 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -109.05 102.26 11.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.401 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.6 t -111.65 111.58 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 49' ' ' ASP . 4.5 mm? -84.6 107.24 16.71 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 50' ' ' LEU . 30.5 tp -80.26 116.71 20.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.165 0.507 . . . . 0.0 109.652 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.45 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 14.7 t -177.49 -171.33 0.32 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.092 177.581 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 78' ' ' ALA . 61.0 mt . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.604 0.24 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.12 143.79 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.464 2.109 . . . . 0.0 111.763 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.73 93.51 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.409 0.624 . . . . 0.0 110.992 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -130.71 132.53 24.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.215 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.52 -167.09 0.17 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.616 2.211 . . . . 0.0 113.564 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.07 12.22 6.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.216 -173.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -78.64 -25.34 45.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.753 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.658 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 40.9 tt0 -75.18 -20.6 59.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.153 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.61 -17.43 62.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.76 4.13 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.74 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 0.0 110.611 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -119.24 161.11 20.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.121 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.66 -174.41 4.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.641 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -83.55 -21.14 32.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.315 0.579 . . . . 0.0 109.79 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.53 103.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.05 46.27 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.31 21.26 1.54 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.465 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' A' ' 158' ' ' VAL . . . -75.39 95.69 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.783 177.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' PHE . 66.3 t -77.98 108.43 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.759 0.314 . . . . 0.0 110.25 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -93.44 120.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -102.48 109.38 20.99 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -110.05 128.46 8.88 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.964 -170.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 118' ' ' ARG . 36.0 t70 -115.19 109.21 17.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 168' ' ' LEU . 25.1 tp -98.74 130.56 45.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 50.4 p90 -162.24 131.86 4.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.814 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD21 HG11 ' A' ' 152' ' ' VAL . 80.1 mt -113.59 145.7 40.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.24 0.543 . . . . 0.0 110.483 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -94.7 131.86 40.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.287 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -76.22 -177.84 4.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.799 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.47 -50.01 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 t -85.15 10.12 13.08 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.3 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.27 12.07 71.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.849 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 125.93 27.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -91.49 118.37 36.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.077 0.465 . . . . 0.0 111.654 -173.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -111.96 128.27 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 52.8 mmtt -69.49 -80.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.25 94.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.565 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.16 94.63 6.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.605 0.241 . . . . 0.0 111.298 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 56.34 67.18 1.03 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.484 0.659 . . . . 0.0 110.271 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m -107.73 149.37 28.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.628 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -87.26 111.56 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 111.402 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 62.0 t -98.24 105.45 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.31 122.85 40.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.848 0.356 . . . . 0.0 110.638 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 50.4 tp -105.28 99.03 8.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 108' ' ' VAL . 5.0 pt-20 -110.23 145.77 32.84 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.776 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.56 138.65 38.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.001 2.467 . . . . 0.0 112.937 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -72.21 94.83 1.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.249 0.547 . . . . 0.0 110.195 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.658 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 17.4 p -116.7 170.24 8.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.018 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.3 m -83.68 -31.43 26.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -63.06 -45.23 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.415 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.8 mtp -92.8 6.33 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.767 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.7 -42.25 88.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.007 0.432 . . . . 0.0 110.263 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.572 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -73.5 -26.78 61.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.067 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -68.06 -42.66 80.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.69 -34.22 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.38 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -54.75 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.328 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' ' 82' ' ' LYS . 6.9 mtpm? -67.08 -44.4 80.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.55 0.214 . . . . 0.0 111.468 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 86' ' ' LEU . 96.8 m-85 -104.44 -96.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.617 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 50.28 -119.02 6.59 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.428 -0.415 . . . . 0.0 112.545 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -81.23 95.26 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 83' ' ' PHE . 9.8 tt -117.59 111.03 18.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.823 -171.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HD23 ' A' ' 86' ' ' LEU . 15.8 t70 -68.89 159.48 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.715 175.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.97 -29.28 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.355 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.32 -2.15 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.758 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 37.4 mtmt -103.94 4.91 35.2 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.446 -0.158 . . . . 0.0 111.037 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HA ' HD21 ' A' ' 86' ' ' LEU . 2.8 ttp180 -65.15 108.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 110.275 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.9 t0 -65.14 117.02 35.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.327 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 74.5 Cg_endo -94.41 7.08 2.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.082 2.521 . . . . 0.0 112.854 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -119.72 -43.62 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.853 0.359 . . . . 0.0 111.26 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 118.01 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.546 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.4 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 47.8 mt-30 -86.09 161.23 50.18 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.108 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 12.4 Cg_endo -57.38 115.38 2.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.343 2.029 . . . . 0.0 111.566 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 28.0 Cg_endo -62.06 138.87 75.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.891 2.394 . . . . 0.0 112.671 -176.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.87 105.78 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.725 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 57.3 mt -93.19 -172.0 2.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.082 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.29 136.67 91.28 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.32 -20.9 12.24 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.56 2.84 . . . . 0.0 113.676 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -58.44 -27.51 64.42 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.556 ' HD2' ' HB2' ' A' ' 100' ' ' LEU . 3.8 ptm180 -65.29 -25.76 67.78 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.099 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.75 -16.53 62.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.606 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.9 m -98.91 -44.59 6.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.782 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.84 -32.5 63.71 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 70' ' ' GLU . 50.2 t -82.96 100.63 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.338 0.59 . . . . 0.0 109.426 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -86.18 124.89 33.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.405 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 35.0 mt-10 -102.07 133.21 47.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.458 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -114.19 129.5 56.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.141 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -95.4 109.09 21.31 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.7 p -64.52 151.79 43.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.322 0.582 . . . . 0.0 111.712 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -73.81 -173.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.37 -25.79 65.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.16 0.505 . . . . 0.0 110.011 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -86.1 10.12 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.001 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.52 36.23 90.86 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.127 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 49' ' ' ASP . 78.2 mtt180 -119.4 167.52 11.84 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 117.391 0.596 . . . . 0.0 111.873 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -167.27 169.86 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.786 -173.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -147.13 152.99 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 49.8 m-85 -133.78 155.19 50.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -156.49 -174.48 4.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.553 173.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.0 m170 62.88 30.14 16.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.258 0.552 . . . . 0.0 110.658 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 121' ' ' PHE . 69.8 mt -109.5 122.1 40.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.716 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.69 158.8 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.439 2.093 . . . . 0.0 111.317 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.1 137.76 58.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.42 -174.91 34.19 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.035 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 9.2 t -111.82 135.41 52.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.166 0.508 . . . . 0.0 111.257 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -136.84 170.21 16.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.481 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -111.32 128.7 56.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.013 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.7 mt -100.17 105.24 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -105.35 127.05 52.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.385 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -137.72 119.33 14.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.828 0.347 . . . . 0.0 110.311 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 44.5 tt0 -91.15 97.38 11.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.238 0.542 . . . . 0.0 110.015 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.24 109.32 15.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.522 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.2 t -137.82 142.64 40.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.046 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -142.68 153.91 43.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.28 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.9 p -84.49 138.94 32.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.01 163.11 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.518 . . . . 0.0 110.777 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.66 115.87 31.07 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.322 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' ' 144' ' ' LYS . 6.8 p -107.3 81.81 1.58 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.962 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 67.76 -84.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.689 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -117.38 -4.81 15.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.075 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' OG ' ' A' ' 141' ' ' SER . 22.1 pttm -125.65 148.77 48.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.507 -0.408 . . . . 0.0 111.33 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.9 m -97.24 118.17 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.852 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -109.55 170.53 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 0.0 111.288 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 20.6 m -102.73 108.84 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -92.46 150.73 20.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.472 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.39 -138.43 14.09 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.369 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.27 -161.11 26.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 13.0 m -96.04 102.76 14.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 52' ' ' LEU . 7.6 p -95.43 127.23 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.057 0.456 . . . . 0.0 110.327 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 35.8 m -132.12 117.98 19.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.928 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -109.31 148.94 30.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -84.88 111.26 19.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.904 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.537 HG21 HD12 ' A' ' 131' ' ' ILE . 84.1 t -121.02 119.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 45.7 m -106.19 120.82 42.81 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.328 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 164' ' ' GLN . 57.9 t -79.69 114.81 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 39.7 m -80.81 -27.01 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.101 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -173.12 -164.8 29.06 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.103 -1.046 . . . . 0.0 112.966 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 15.49 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.38 0.61 . . . . 0.0 110.396 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -91.97 165.56 19.93 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.442 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.82 110.78 1.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.4 2.067 . . . . 0.0 111.702 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.473 ' HG3' HG13 ' A' ' 158' ' ' VAL . 13.7 mm100 -95.25 97.28 9.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -86.69 113.49 22.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.962 0.411 . . . . 0.0 110.408 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.5 122.95 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.663 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.68 111.29 23.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.474 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 50' ' ' LEU . 23.7 tp -87.92 95.41 10.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.306 0.574 . . . . 0.0 109.652 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.5 t -163.27 172.01 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.292 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.543 177.296 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 98' ' ' PRO . 64.8 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 19.6 Cg_endo -58.44 -33.36 97.85 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.229 2.62 . . . . 0.0 114.355 -167.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 31' ' ' PRO . 10.2 t0 -164.36 166.49 20.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -177.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 87.1 t80 -85.52 -54.85 0.42 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD2' ' OD1' ' A' ' 29' ' ' ASP . 9.5 Cg_endo -52.99 121.01 8.58 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.168 1.912 . . . . 0.0 112.917 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -116.95 24.19 11.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.664 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -61.75 -12.9 19.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -21.59 63.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 173.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 32' ' ' GLU . 34.5 m-85 -63.76 -34.37 77.74 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 173.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.42 2.48 28.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.579 -173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -30.03 60.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.152 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 p -92.1 112.99 25.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -89.26 -174.43 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.72 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -105.07 7.3 33.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.413 0.625 . . . . 0.0 110.317 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.64 117.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.881 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 176.7 165.17 31.82 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.93 20.43 7.65 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.12 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.97 109.36 2.85 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.952 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 75.7 t -97.85 116.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.5 118.8 57.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -102.41 104.25 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.79 122.12 7.39 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.931 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.76 109.0 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 168' ' ' LEU . 35.5 tp -90.51 130.42 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 59' ' ' ILE . 48.6 p90 -174.96 123.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.594 0.559 . . . . 0.0 110.164 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 170' ' ' ARG . 60.7 mt -108.45 153.56 23.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.461 HG23 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -107.71 122.28 46.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.913 0.387 . . . . 0.0 111.629 -177.099 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 m -69.19 150.91 46.96 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 170.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.06 66.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.3 p -76.5 1.5 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.48 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.95 56.81 2.65 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.288 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.29 125.69 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.643 0.258 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 51' ' ' TYR . 21.9 mm -79.05 105.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.008 173.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -92.13 109.54 20.91 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.557 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 5.1 mmtt -63.72 -71.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.925 -170.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.79 80.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.197 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -84.44 101.47 12.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.809 0.338 . . . . 0.0 111.346 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 62.87 47.83 4.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -95.51 134.19 38.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.139 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -78.75 122.46 26.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.037 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.25 130.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.719 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.42 140.66 46.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.93 0.395 . . . . 0.0 111.078 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.11 101.24 8.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.982 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HA ' HG22 ' A' ' 108' ' ' VAL . 42.2 mt-10 -103.68 141.84 23.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.785 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 15.3 Cg_exo -69.26 119.5 6.47 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.752 2.301 . . . . 0.0 111.89 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.6 104.41 8.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.762 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -159.19 -161.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.315 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' TYR . 22.9 t -73.35 -165.61 0.27 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.474 0.31 . . . . 0.0 110.311 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 74' ' ' SER . 73.9 t80 73.23 -53.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.226 0.611 . . . . 0.0 111.279 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtp -90.24 17.23 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.414 -0.179 . . . . 0.0 111.338 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 54.7 tttm -57.36 -46.28 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.25 -15.07 51.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.152 0.501 . . . . 0.0 110.874 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 98' ' ' PRO . 42.5 t80 -71.24 -41.49 70.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.763 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -81.12 -5.84 58.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.919 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.17 -37.75 23.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.246 0.546 . . . . 0.0 109.765 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' NZ ' ' HG3' ' A' ' 98' ' ' PRO . 98.5 mttt -71.87 -48.95 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.288 175.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -103.59 -86.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.893 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.65 43.02 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -85.86 87.93 7.48 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 90' ' ' LYS . 7.1 tt -102.46 105.0 15.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.657 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.46 162.73 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.17 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -18.78 65.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.23 -0.294 . . . . 0.0 111.337 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.64 -18.96 59.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.026 173.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HB3' ' HG ' ' A' ' 86' ' ' LEU . 15.1 mmmt -94.01 6.55 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.162 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -73.64 85.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.842 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 95' ' ' VAL . 33.2 t70 -114.3 134.46 22.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.097 -173.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 29.6 Cg_exo -62.73 -31.85 78.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.203 2.602 . . . . 0.0 113.578 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.17 -8.09 59.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.464 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.526 HG23 ' HB3' ' A' ' 92' ' ' ASP . 42.6 t -81.13 77.33 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 48.7 mt-30 -83.12 131.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.958 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 25.6 Cg_exo -62.94 120.55 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.797 2.331 . . . . 0.0 111.145 174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' HD2' ' CE1' ' A' ' 79' ' ' TYR . 39.3 Cg_exo -60.71 157.36 37.87 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.847 2.365 . . . . 0.0 111.984 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.16 91.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 110.433 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -86.34 158.07 19.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.167 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.01 136.55 61.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.307 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.82 -18.78 17.12 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.543 2.829 . . . . 0.0 113.87 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -57.67 -29.24 64.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.3 ptt180 -62.07 -36.78 82.71 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 -8.21 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.206 0.526 . . . . 0.0 111.041 -177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -86.82 -39.4 15.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.898 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.66 -40.76 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.41 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 70' ' ' GLU . 94.2 t -69.02 121.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -102.88 146.53 28.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.78 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.92 143.75 41.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.632 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -124.06 161.04 26.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.5 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.4 m -136.44 108.77 7.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.488 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 24.8 p -68.43 138.27 55.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.84 -161.02 0.67 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.87 -32.31 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.877 0.471 . . . . 0.0 111.431 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -75.91 -14.68 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.479 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.557 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 59.51 43.83 97.24 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -137.41 148.23 46.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.592 -0.358 . . . . 0.0 110.225 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.12 154.19 44.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.17 148.3 34.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.985 0.422 . . . . 0.0 110.845 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.632 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 73.5 m-85 -136.94 153.41 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.43 173.84 11.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.789 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 13.9 m80 61.5 47.73 6.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.129 0.49 . . . . 0.0 111.436 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.7 mt -120.89 131.07 24.58 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.859 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.77 158.43 56.27 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.293 1.995 . . . . 0.0 110.968 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 25.4 p-10 -85.79 143.72 28.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.173 0.511 . . . . 0.0 111.112 -176.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.36 -158.74 30.16 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.799 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 p -102.58 128.72 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -132.39 149.98 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.29 120.1 40.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 153' ' ' THR . 46.0 mt -94.78 104.83 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 p -108.33 128.65 54.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 t -150.75 124.21 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.839 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.8 pt-20 -98.35 91.36 5.17 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.894 0.854 . . . . 0.0 111.078 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.14 99.22 9.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.329 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.4 t -120.94 138.17 54.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.012 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.467 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 48.5 p90 -133.91 151.33 51.47 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.704 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 p -97.55 121.3 39.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.853 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.07 114.11 26.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 85.4 mt-30 -81.04 92.25 6.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.189 0.519 . . . . 0.0 109.912 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.0 m -100.75 108.27 20.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.369 -175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 65.95 14.07 9.39 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.32 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 109.55 -15.97 31.86 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.774 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -92.41 109.82 21.22 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 17.0 m -81.42 99.38 8.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.303 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.9 pt -96.17 150.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.178 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 39.8 m -107.59 102.86 12.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.08 0.466 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 42.0 mt-10 -96.77 179.3 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.382 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 78.77 -150.83 34.92 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.259 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 137.58 -162.33 25.45 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.671 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 19.9 m -86.74 102.48 14.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.8 0.333 . . . . 0.0 110.175 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.46 133.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 28.5 m -125.74 117.36 23.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.251 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -109.69 127.79 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.0 103.03 11.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.419 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.92 117.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.6 m -100.79 96.72 7.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.136 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 45.2 t -87.93 104.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 p -64.39 -35.38 80.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.26 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.72 -160.08 13.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 70.2 m -81.5 60.29 4.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.821 0.819 . . . . 0.0 109.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.26 151.15 44.07 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.094 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 57.8 Cg_endo -76.51 91.4 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.102 1.868 . . . . 0.0 111.344 172.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -97.68 132.77 43.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.593 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -99.19 118.1 35.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.594 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.03 126.53 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.175 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.32 100.43 13.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 50' ' ' LEU . 48.8 tp -80.13 85.46 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.5 t -137.14 161.09 37.08 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.758 -173.635 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.441 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.3 ttt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.219 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 59.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 26.3 Cg_exo -62.33 152.15 78.37 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.799 2.332 . . . . 0.0 112.701 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -101.84 -36.62 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.928 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.1 m-85 -72.55 -53.16 6.01 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -175.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 7.8 Cg_exo -73.31 29.14 0.3 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.92 2.413 . . . . 0.0 114.392 -171.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -76.52 -26.9 55.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.365 0.602 . . . . 0.0 110.107 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -76.49 -8.57 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.102 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.66 -13.52 62.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.599 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -66.4 -21.31 66.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.02 14.2 22.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.465 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.08 17.12 14.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 110.796 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 145.39 35.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.473 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -129.52 155.37 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.588 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.13 -30.87 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.196 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.13 117.75 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.823 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.08 112.64 0.35 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.49 -4.73 62.18 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.19 -1.005 . . . . 0.0 113.09 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -54.37 122.06 22.59 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.659 -0.305 . . . . 0.0 113.533 -174.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.66 127.79 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.916 0.388 . . . . 0.0 110.648 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.08 123.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 18.4 t-20 -135.43 109.52 8.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -151.84 171.81 31.24 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 119.149 -1.501 . . . . 0.0 114.3 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.58 145.99 36.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.32 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 26.3 tp -105.93 121.9 45.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 42.3 p90 -158.18 133.74 8.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.71 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.96 162.19 21.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.857 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 p -95.05 123.78 38.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.672 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -76.61 162.4 27.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.72 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.905 0.383 . . . . 0.0 111.546 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -77.54 -1.29 29.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.77 32.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.222 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.65 143.55 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.13 106.91 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.802 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -99.86 112.24 24.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.549 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.57 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 23.9 mmtp -72.9 -65.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.319 0.387 . . . . 0.0 111.39 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.81 122.62 5.12 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.895 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 115' ' ' GLN . 23.8 p -115.77 143.5 45.3 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.883 -0.186 . . . . 0.0 110.505 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER 61.19 22.5 12.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.752 0.787 . . . . 0.0 109.414 -179.557 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -85.15 134.64 34.16 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.563 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -85.67 104.63 15.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.06 0.457 . . . . 0.0 111.231 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 82.7 t -85.67 107.5 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.389 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.79 115.6 28.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.9 0.381 . . . . 0.0 111.219 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 109' ' ' ARG . 48.1 tp -93.2 107.97 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.668 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' HG22 ' A' ' 108' ' ' VAL . 33.1 mt-10 -113.56 145.05 32.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 -175.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.2 116.15 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.619 2.212 . . . . 0.0 112.278 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 129' ' ' TYR . . . -85.66 123.91 31.59 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 75' ' ' TYR . 13.9 t -156.12 -168.79 2.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -174.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.522 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 57.3 m -74.81 -11.88 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.377 . . . . 0.0 111.486 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.767 ' H ' HG23 ' A' ' 73' ' ' THR . 38.8 t80 -91.54 173.83 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.2 mmm 73.33 5.15 5.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.892 0.477 . . . . 0.0 112.036 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 74' ' ' SER . 73.5 mmtt -51.96 -70.72 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -58.02 -28.7 64.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.02 -177.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.37 -52.81 62.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -70.79 -28.21 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.12 63.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.404 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 43.3 mtpt -82.71 -31.53 28.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.515 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -115.99 -82.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.576 0.227 . . . . 0.0 110.907 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -115.76 8.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.181 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 151' ' ' THR . 96.1 m-20 -100.99 91.0 4.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 110.331 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -102.36 137.62 40.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.907 -178.795 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -76.47 132.86 39.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.212 173.69 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.34 67.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.158 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 87' ' ' ASP . . . -67.56 -23.4 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -116.64 39.92 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 111.054 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 119.61 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.34 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -89.5 117.73 68.43 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -86.18 -1.63 8.59 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.797 2.331 . . . . 0.0 112.82 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.22 -43.03 5.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.0 110.348 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.62 100.55 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.48 144.54 28.97 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.049 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 29.8 Cg_exo -62.61 117.66 4.55 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.541 2.161 . . . . 0.0 111.322 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 23.0 Cg_endo -61.64 132.02 38.4 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.68 2.253 . . . . 0.0 112.431 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.98 89.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -81.7 -23.92 36.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.553 -177.024 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.426 ' N ' HD12 ' A' ' 100' ' ' LEU . 10.2 t70 -164.58 126.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.5 -17.52 23.59 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.897 2.398 . . . . 0.0 113.427 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -71.66 -9.9 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -57.24 -30.15 64.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.8 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -17.51 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.2 m -103.9 -28.17 11.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.021 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -88.66 -21.31 24.01 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 70' ' ' GLU . 74.1 t -82.6 115.73 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.128 0.489 . . . . 0.0 110.171 177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 69.3 ttt180 -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.679 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.08 130.79 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 0.0 111.52 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -116.39 113.14 22.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.926 172.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 64' ' ' ASN . 94.7 m -82.23 113.83 20.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.643 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 33.7 p -61.32 128.91 38.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.0 111.52 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 33.9 t70 -73.59 -177.42 2.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.97 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 62.0 tt0 -57.42 -29.76 64.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.773 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -82.29 -0.33 45.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.416 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 66.99 41.79 93.01 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.318 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 45.3 ttm180 -124.95 145.4 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -128.4 148.55 50.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.76 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -145.77 142.84 29.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.629 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.611 ' CB ' HD11 ' A' ' 124' ' ' ILE . 51.7 m-85 -135.19 114.0 11.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.893 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -96.11 148.55 22.57 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 58.81 86.34 0.09 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.185 0.993 . . . . 0.0 111.428 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.611 HD11 ' CB ' ' A' ' 121' ' ' PHE . 67.6 mt -129.29 133.7 25.45 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.329 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.13 129.13 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.126 1.884 . . . . 0.0 110.972 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.6 129.03 39.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.983 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.55 -164.55 38.04 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.089 -177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -107.48 132.03 53.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' H ' ' A' ' 72' ' ' ALA . 94.4 m-85 -133.76 154.66 50.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.202 0.525 . . . . 0.0 111.651 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD23 ' A' ' 155' ' ' LEU . 35.5 m-85 -102.3 141.48 35.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.944 171.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 156' ' ' VAL . 48.2 mt -116.25 108.73 25.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.2 m -103.14 119.02 38.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.04 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -137.65 126.26 23.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.964 0.411 . . . . 0.0 110.704 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 151' ' ' THR . 13.8 pt-20 -103.38 102.57 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.51 0.672 . . . . 0.0 110.536 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.2 tp -111.73 118.83 36.7 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.2 p -124.92 139.08 54.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -138.91 137.29 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.803 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 9.8 m -94.34 109.1 20.97 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.198 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.93 145.57 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.646 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 90.0 mt-30 -82.52 105.41 13.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.12 0.486 . . . . 0.0 110.52 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.3 t -103.88 105.34 15.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.825 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.33 16.33 9.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.658 173.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 127.42 -33.86 3.19 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.648 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -96.52 130.59 43.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 111.165 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 12.6 m -84.26 96.5 9.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 109.885 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.75 144.17 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.671 -175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 138' ' ' SER . 34.0 m -94.01 101.97 14.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.401 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 43.5 mt-10 -83.62 178.34 8.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.547 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 111.54 -152.09 17.71 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.775 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 141.35 -161.76 26.9 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.581 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.5 p -93.24 113.19 25.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.939 0.37 . . . . 0.0 110.57 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.43 108.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.728 0.775 . . . . 0.0 109.247 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 10.9 m -105.7 110.48 22.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.507 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -112.51 137.26 50.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.422 HD23 ' CE1' ' A' ' 130' ' ' TYR . 3.2 tm? -81.79 121.45 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.395 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 131' ' ' ILE . 92.1 t -127.05 121.71 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.141 0.496 . . . . 0.0 110.316 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.3 t -103.75 133.83 48.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.91 96.22 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.2 m -99.88 -7.91 24.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -137.46 147.88 19.49 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.427 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.704 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.2 m -75.26 -30.14 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.203 0.525 . . . . 0.0 110.304 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.3 151.25 97.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.59 125.47 18.85 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 123.022 2.482 . . . . 0.0 113.869 -171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -96.49 114.84 26.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.804 172.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 62.7 tttp -80.56 115.95 20.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.469 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 60.2 t -124.1 114.81 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.539 -174.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.408 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 69.9 mt -83.29 105.5 14.29 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 171.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.3 tt -81.1 93.62 6.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.826 0.822 . . . . 0.0 109.654 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 14.8 t -155.19 123.4 5.88 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.2 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 8.5 mmm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.365 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.37 173.19 14.18 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.57 2.18 . . . . 0.0 112.171 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.12 146.98 41.2 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -72.02 116.13 45.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.996 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG2' ' HB2' ' A' ' 75' ' ' TYR . 32.3 Cg_exo -59.08 -42.31 52.43 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.51 2.14 . . . . 0.0 111.252 176.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 63.56 -73.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.669 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -59.11 -21.07 58.69 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.676 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 41.9 tt0 -62.65 -33.87 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.383 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.85 -44.36 90.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.203 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.46 -7.42 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.454 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.69 45.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -96.48 155.83 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 87.9 mm-40 -86.03 152.38 22.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -97.28 -42.69 7.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 110.149 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.15 120.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.73 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 125' ' ' PRO . . . -129.53 -164.84 11.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.865 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.52 -4.07 17.96 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.269 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.36 121.11 10.91 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.81 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.73 116.97 48.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.2 mt -109.99 110.84 33.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 90.7 m-20 -102.71 104.88 15.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -103.98 141.37 15.24 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.969 -1.11 . . . . 0.0 113.461 -171.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -116.71 109.57 17.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 168' ' ' LEU . 25.7 tp -88.41 127.92 35.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.475 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.9 p90 -168.79 110.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.657 0.741 . . . . 0.0 110.114 173.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 135' ' ' LEU . 90.1 mt -99.41 115.25 28.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.277 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 125.48 30.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.92 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.435 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 19.7 m -68.66 162.37 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -14.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.066 0.46 . . . . 0.0 111.111 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -80.2 -11.81 59.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 8.69 62.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.243 -0.98 . . . . 0.0 112.331 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.39 133.96 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -95.79 112.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 0.0 111.651 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.46 112.44 24.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.812 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 39.5 mmtt -78.11 -3.29 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.65 85.02 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.151 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 115' ' ' GLN . 34.3 p -94.53 125.15 38.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.909 -0.171 . . . . 0.0 110.67 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.0 t30 62.58 35.88 14.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.799 0.809 . . . . 0.0 109.608 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -95.83 137.42 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.613 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -92.21 118.01 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.589 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.52 127.44 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.668 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.24 121.65 44.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tt -103.51 113.92 27.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 108' ' ' VAL . 39.4 mt-10 -115.34 146.94 37.54 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.954 -174.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.97 128.06 12.78 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.47 2.113 . . . . 0.0 112.14 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.14 105.77 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.059 0.457 . . . . 0.0 110.854 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.676 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 56.5 p -103.09 -173.6 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.38 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -78.52 -21.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.364 0.602 . . . . 0.0 109.538 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 19.9 t80 -81.84 -30.85 31.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.329 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 1.5 mmt -80.29 58.83 3.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 111.288 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -123.71 -67.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.103 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.781 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.43 -46.53 89.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.882 0.372 . . . . 0.0 110.589 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 20.5 m-85 -85.1 1.09 49.38 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.63 -28.12 28.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 169.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -85.16 -62.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.48 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -91.65 -1.1 57.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.735 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -70.56 119.23 8.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.87 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.628 ' HA ' ' O ' ' A' ' 151' ' ' THR . 31.5 m-80 52.39 59.48 4.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.329 0.585 . . . . 0.0 111.025 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.4 tt -102.58 112.83 25.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.544 0.687 . . . . 0.0 109.748 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.7 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 13.7 t70 -65.82 158.01 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.561 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.93 -26.84 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 111.256 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.87 -11.64 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 87' ' ' ASP . 28.3 mtpp -96.88 13.12 29.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.557 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 91' ' ' ARG . 9.9 mmt180 -80.57 93.53 6.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -82.65 131.16 55.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.831 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.78 -15.99 48.87 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.995 2.463 . . . . 0.0 113.753 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -97.39 -22.6 16.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.971 0.415 . . . . 0.0 110.909 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.51 97.18 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 64.4 mt-30 -97.13 137.69 21.24 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.16 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 5.9 Cg_exo -73.03 116.45 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.69 2.26 . . . . 0.0 112.106 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.56 146.0 34.03 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.852 2.368 . . . . 0.0 112.259 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.63 121.65 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.5 mt -94.54 -169.33 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -65.59 150.82 95.62 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.702 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.52 -11.17 18.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.909 2.406 . . . . 0.0 112.765 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -39.59 90.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 51.9 mtp85 -48.53 -49.46 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.354 174.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.3 -30.4 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -79.6 -42.19 25.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.684 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -95.06 -16.28 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -170.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' ARG . 69.4 t -73.6 121.93 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 0.0 110.086 176.235 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -95.94 120.72 36.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.71 128.73 47.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -123.98 144.68 49.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.8 m -108.67 111.39 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 119' ' ' PHE . 36.0 p -67.4 135.41 53.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 0.0 112.193 -172.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.732 ' HB2' ' HB2' ' A' ' 118' ' ' ARG . 8.7 m-20 -66.84 170.99 5.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.464 176.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' A' ' 63' ' ' THR . 48.6 tt0 -70.76 -18.4 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 0.0 110.56 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -92.27 15.65 13.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.109 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.0 45.43 83.08 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.616 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . 0.732 ' HB2' ' HB2' ' A' ' 114' ' ' ASP . 1.6 mmp_? -111.6 133.25 53.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.738 -0.231 . . . . 0.0 111.438 -175.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.511 ' HB3' HG22 ' A' ' 113' ' ' THR . 50.2 p90 -145.33 126.19 14.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -119.42 115.03 23.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.458 -168.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 60.9 m-85 -113.26 142.35 45.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.861 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.04 148.69 30.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.999 -173.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.74 63.6 1.46 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.527 0.68 . . . . 0.0 111.526 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 121' ' ' PHE . 59.0 mt -122.15 127.09 26.06 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.516 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 39' ' ' GLN . 37.3 Cg_exo -62.56 160.14 33.41 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 112.545 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 158' ' ' VAL . 5.8 m-20 -69.99 136.7 50.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.731 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.3 -172.7 34.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.292 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -97.62 134.09 41.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -134.74 156.78 48.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.514 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -113.66 117.7 32.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.377 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 156' ' ' VAL . 56.5 mt -97.42 107.37 19.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 10.4 t -124.13 125.71 44.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.327 -176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 p -137.49 134.29 35.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.34 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.17 109.21 20.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.077 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 52' ' ' LEU . 55.2 tp -132.53 111.09 10.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.711 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.495 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 38.5 p90 -146.38 175.16 10.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 145' ' ' THR . 78.0 p -123.73 125.44 44.75 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.12 137.05 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.84 129.27 34.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.035 0.445 . . . . 0.0 110.395 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.3 m -124.74 71.35 1.16 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.1 t70 58.23 81.39 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.036 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.21 -45.15 3.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.128 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -89.53 123.24 33.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.999 0.4 . . . . 0.0 110.962 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 138' ' ' SER . 2.8 m -99.36 96.79 7.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.952 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.9 pt -85.94 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.174 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.7 m -94.09 123.88 37.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.495 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 45.1 mt-10 -116.18 167.99 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 92.79 -161.01 25.59 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.606 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.46 -144.19 14.89 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' THR . . . . . 0.628 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 12.7 p -90.43 102.64 15.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.016 0.408 . . . . 0.0 110.394 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.2 p -91.53 121.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.142 0.496 . . . . 0.0 109.719 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 21.0 m -116.96 120.86 39.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.606 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -113.33 123.91 51.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.529 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 tp -84.15 106.48 15.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 131' ' ' ILE . 61.6 t -105.55 120.05 55.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 22.3 m -99.31 102.49 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.162 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 46' ' ' ILE . 41.3 t -83.99 93.36 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.9 p -108.06 23.39 14.56 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.422 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.88 158.53 31.54 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.272 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.411 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 p -97.64 10.91 38.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 0.0 110.93 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 164' ' ' GLN . 50.8 mt-30 -81.91 153.66 69.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.697 174.266 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.88 111.65 1.27 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.451 2.101 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 162' ' ' GLN . 61.2 mt-30 -105.73 120.46 41.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.849 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 79.9 tttt -83.19 113.43 20.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.12 0.486 . . . . 0.0 110.302 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.461 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 77.1 t -108.96 117.27 53.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.456 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 167' ' ' LEU . 5.4 mp -90.86 115.68 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 50' ' ' LEU . 17.2 tp -80.81 85.07 6.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.815 0.817 . . . . 0.0 110.023 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.439 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -152.27 160.18 43.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 113.875 -1.511 . . . . 0.0 107.626 174.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.696 -174.595 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.93 -175.28 0.91 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.634 2.223 . . . . 0.0 112.992 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.655 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 30.6 t70 -51.8 137.61 25.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.599 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 12.5 p90 -97.38 106.52 32.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.677 ' HD2' ' HB2' ' A' ' 75' ' ' TYR . 51.6 Cg_endo -100.72 114.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.351 0 C-N-CA 123.623 2.882 . . . . 0.0 111.761 170.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.25 12.89 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.01 0.433 . . . . 0.0 110.858 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -57.8 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.049 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 73' ' ' THR . 28.3 mt-10 -65.37 -21.15 66.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.067 -173.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -73.87 -19.17 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.593 0.235 . . . . 0.0 111.35 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.38 -4.72 26.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -15.02 62.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.584 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.543 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 4.8 p -78.5 -24.74 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.525 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 58.2 -98.91 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -179.52 -52.52 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.192 0.52 . . . . 0.0 110.522 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 7.2 p -63.22 134.63 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.349 -176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 179.41 158.47 21.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.849 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.02 7.55 10.03 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.496 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.16 117.75 7.56 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.121 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.08 122.17 60.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -107.04 121.43 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.372 . . . . 0.0 110.479 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -105.49 101.95 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -108.96 132.42 11.08 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.227 -173.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -120.85 114.24 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 57.9 tp -94.47 128.33 40.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -171.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 24.3 p90 -166.38 115.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.357 0.599 . . . . 0.0 110.532 173.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 169' ' ' THR . 90.0 mt -99.36 133.07 44.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.045 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.667 -178.525 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 0.8 OUTLIER -65.08 163.34 15.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.392 176.475 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.37 -25.49 66.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.25 0.547 . . . . 0.0 109.901 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.13 -5.5 58.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.333 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.52 19.75 77.96 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.979 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 53' ' ' THR . 90.2 mt 61.75 99.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.437 0.637 . . . . 0.0 111.385 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -97.84 127.62 43.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.186 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 57.5 mmtt -74.29 -71.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.371 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.4 93.52 0.37 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.783 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.81 115.8 28.45 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.578 0.228 . . . . 0.0 110.961 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 62.56 33.66 15.73 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.282 0.563 . . . . 0.0 110.664 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -91.27 145.17 24.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.158 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -96.29 121.52 38.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.83 119.57 51.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.429 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.37 138.7 38.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 129' ' ' TYR . 58.6 tp -111.29 104.64 13.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.838 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 130' ' ' TYR . 21.6 mm-40 -97.7 144.75 28.53 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.536 -176.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 6.0 Cg_exo -78.6 129.79 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.056 2.504 . . . . 0.0 111.506 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . . . -67.81 107.59 2.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.126 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 34' ' ' GLU . 71.7 p -126.75 154.92 43.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 29.4 m -75.85 -23.73 55.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.429 0.633 . . . . 0.0 109.62 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 27.4 t80 -61.1 -38.02 84.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.732 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 79' ' ' TYR . 9.9 ttt -87.18 24.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.828 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 74' ' ' SER . 31.5 tptt -58.88 -58.37 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.094 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.28 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.779 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB3' ' HG2' ' A' ' 76' ' ' MET . 20.1 t80 -69.03 -37.87 78.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -76.2 -26.41 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.227 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.35 -51.85 13.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.551 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 20.4 mtpt -81.73 -36.44 28.6 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -104.58 -96.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.388 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.73 -116.88 5.28 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.224 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -91.75 84.21 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.273 1.035 . . . . 0.0 110.055 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.823 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.0 tt -104.33 113.68 27.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.288 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.966 172.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.72 -18.8 64.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.928 0.394 . . . . 0.0 110.769 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 -17.02 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.672 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 pttm -120.38 29.38 7.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.343 0.592 . . . . 0.0 110.384 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HA ' HD21 ' A' ' 86' ' ' LEU . 14.2 tpt180 -69.52 106.42 2.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.683 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.94 115.2 9.67 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.956 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -86.89 19.66 1.35 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.763 2.309 . . . . 0.0 113.144 -173.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.09 -57.9 2.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.882 0.372 . . . . 0.0 110.631 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.87 116.02 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.676 0.75 . . . . 0.0 111.758 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.41 ' HA ' HH22 ' A' ' 91' ' ' ARG . 52.2 mt-30 -95.3 162.3 25.14 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.709 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.74 114.12 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.515 2.143 . . . . 0.0 112.499 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.46 170.72 14.31 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 112.382 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -77.1 81.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.389 0.614 . . . . 0.0 110.098 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.96 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . 30.2 mt -64.14 151.74 42.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.605 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.8 m-20 -55.7 138.75 69.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.66 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -59.89 -11.63 15.78 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.833 3.022 . . . . 0.0 113.568 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' A' ' 107' ' ' TYR . 16.8 tpp180 -55.92 -40.99 73.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.101 0.477 . . . . 0.0 110.511 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.96 ' HE ' ' HB2' ' A' ' 100' ' ' LEU . 34.9 ptt85 -65.95 -33.31 75.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.5 m -91.25 -48.46 6.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.956 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' A' ' 103' ' ' ARG . 97.1 m-85 -85.5 -26.75 26.07 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' GLU . 54.7 t -68.95 118.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -108.7 125.33 51.78 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.263 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.23 148.42 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.09 124.82 31.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.3 m -82.34 120.1 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 32.7 p -63.42 135.91 57.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.542 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -68.19 173.28 4.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.231 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 36.5 tp60 -49.23 -38.8 27.67 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.183 0.993 . . . . 0.0 112.958 -175.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.483 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 7.1 p30 -87.99 8.62 25.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.289 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 74.9 51.01 8.13 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.007 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -131.84 147.64 52.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.508 -0.407 . . . . 0.0 110.765 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -144.59 148.92 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.74 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.41 141.67 49.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.553 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 78.2 m-85 -129.31 148.36 51.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.454 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.09 171.29 17.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 51.5 t60 60.21 47.47 9.24 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.785 0.678 . . . . 0.0 110.3 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.1 mt -116.79 132.84 23.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.928 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.543 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.7 Cg_exo -68.55 162.94 38.75 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.961 2.441 . . . . 0.0 111.601 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -81.54 144.81 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 0.0 111.029 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.41 -175.67 29.36 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.982 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 157' ' ' THR . 13.6 p -93.56 127.24 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 69' ' ' LEU . 93.5 m-85 -124.98 155.92 38.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 72' ' ' ALA . 46.9 m-85 -101.24 108.17 19.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.174 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 156' ' ' VAL . 10.8 mt -94.29 109.59 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.2 t -113.03 126.69 55.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.199 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -130.46 120.06 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.961 0.41 . . . . 0.0 110.348 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -93.32 101.9 14.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.388 0.613 . . . . 0.0 110.191 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.3 tp -119.15 101.37 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.736 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -115.07 122.76 47.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.454 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.565 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 43.0 p90 -127.15 171.53 11.33 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.685 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 p -120.35 114.65 22.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.655 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.27 149.21 36.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.345 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -88.33 107.92 19.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.085 0.469 . . . . 0.0 110.963 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.9 t -89.41 80.87 6.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.2 t70 67.35 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.119 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -127.32 -1.69 6.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.164 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -108.58 117.79 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.628 0.252 . . . . 0.0 110.657 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 42.3 m -80.57 99.49 8.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.974 0.416 . . . . 0.0 109.885 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 pt -92.85 157.44 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.734 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.6 m -104.2 101.2 10.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.032 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.565 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.5 mt-10 -88.31 162.95 16.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 101.5 -144.04 16.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.36 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.93 -149.42 20.42 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.5 m -108.1 102.58 11.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.905 0.383 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.405 HG11 HD21 ' A' ' 52' ' ' LEU . 7.8 p -94.46 116.19 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.391 0.615 . . . . 0.0 110.051 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 58.3 m -118.04 121.82 41.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.495 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' A' ' 169' ' ' THR . 60.3 mttm -109.35 140.9 42.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.517 HD11 ' HB ' ' A' ' 128' ' ' THR . 59.4 tp -82.42 97.33 8.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 131' ' ' ILE . 89.7 t -97.39 109.82 24.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.419 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . 0.591 ' HB ' HG22 ' A' ' 128' ' ' THR . 3.2 t -95.88 105.82 17.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.769 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.15 84.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 38.6 t -73.53 -34.04 65.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.843 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.09 157.21 17.58 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.455 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.99 13.91 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.983 0.421 . . . . 0.0 111.679 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -87.45 160.9 47.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.2 111.89 1.0 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.55 2.167 . . . . 0.0 112.326 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -94.93 107.46 19.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.527 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -84.67 119.9 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.466 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 55.4 t -121.92 114.63 43.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 -176.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 94.3 mt -81.58 109.63 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.55 93.88 6.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.534 0.683 . . . . 0.0 109.527 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.528 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.4 t -153.82 -152.7 0.43 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.305 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 170' ' ' ARG . 47.9 mtm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.836 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 82.8 mt . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 111.308 0.114 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.507 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 15.6 Cg_exo -66.64 -76.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.28 1.987 . . . . 0.0 113.724 -173.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -168.71 -168.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 56.99 81.32 0.26 Allowed Pre-proline 0 N--CA 1.466 0.332 0 C-N-CA 123.273 0.629 . . . . 0.0 111.268 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.15 82.46 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.011 2.474 . . . . 0.0 113.152 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 68.69 -24.14 0.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.49 -23.74 51.79 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.679 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 54.4 tt0 -62.03 -28.0 69.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 111.114 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -79.82 -7.67 58.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.425 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.53 -2.69 58.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.62 3.47 29.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 111.455 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m -86.27 84.4 7.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.944 0.402 . . . . 0.0 111.313 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -149.6 110.98 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.543 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 178.03 110.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 123.526 0.517 . . . . 0.0 110.27 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.38 138.26 23.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -126.38 -174.23 13.79 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.018 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 20.69 2.54 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.49 114.65 3.98 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.617 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 21.9 t -92.14 115.4 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 158' ' ' VAL . 28.6 mt -116.06 111.73 36.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.26 -176.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.595 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 13.0 m120 -102.35 118.93 37.92 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -103.1 119.81 6.55 Favored Glycine 0 C--N 1.315 -0.589 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.671 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' HB3' ' HG ' ' A' ' 167' ' ' LEU . 1.0 OUTLIER -96.65 108.9 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.109 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 168' ' ' LEU . 45.3 tp -93.33 134.76 35.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.112 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.404 ' HE1' HD23 ' A' ' 167' ' ' LEU . 45.8 p90 -176.06 121.82 0.17 Allowed 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.953 0.783 . . . . 0.0 109.956 169.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 169' ' ' THR . 78.0 mt -109.22 119.46 39.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.231 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -78.78 126.26 30.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -70.83 165.23 23.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -14.69 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 111.426 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.5 m -88.46 0.83 55.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.89 85.55 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.24 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.46 138.13 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -95.83 113.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -176.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -90.04 96.81 10.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 4.7 tmtt? -63.87 -29.85 71.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.919 -172.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.01 101.31 0.65 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.182 -1.008 . . . . 0.0 111.597 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 118.33 36.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.692 -0.299 . . . . 0.0 110.333 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 57.97 38.74 26.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.659 0.599 . . . . 0.0 111.114 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.7 m -83.41 137.83 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -91.58 120.93 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.882 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.8 142.78 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.208 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.67 120.34 39.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.827 0.346 . . . . 0.0 110.316 177.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -104.09 104.13 14.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.976 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.482 ' HG2' HG13 ' A' ' 108' ' ' VAL . 49.4 mt-10 -104.28 139.23 19.9 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 107' ' ' TYR . 23.7 Cg_exo -65.01 120.04 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.22 1.946 . . . . 0.0 110.944 173.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.32 103.23 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.884 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.679 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 33.1 p -104.61 164.08 12.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.743 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -68.94 -28.73 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.54 0.686 . . . . 0.0 109.355 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.52 -31.27 71.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.225 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 96.6 mmm -96.34 3.48 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.41 -43.94 92.94 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 28' ' ' PRO . . . -72.95 -25.29 60.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.238 0.542 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -76.74 -40.64 47.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.59 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.769 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.56 94.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.919 0.39 . . . . 0.0 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -85.22 -57.62 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.742 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -98.52 7.65 45.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.163 -168.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.98 -58.74 10.74 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.372 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -133.95 94.41 3.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 0.0 109.989 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 6.3 tt -124.61 119.27 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.444 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.2 150.14 49.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.782 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.28 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -21.48 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.246 0.546 . . . . 0.0 109.999 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 14.2 mmmm -88.68 -2.74 58.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.255 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -68.83 94.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.537 ' HB3' HG23 ' A' ' 95' ' ' VAL . 11.3 t70 -104.25 136.19 19.22 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.018 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 52.5 Cg_exo -56.77 -19.26 30.24 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.169 2.579 . . . . 0.0 113.473 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.86 -27.97 60.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.284 0.564 . . . . 0.0 110.361 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 92' ' ' ASP . 14.9 t -82.87 73.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.152 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 86.8 mt-30 -91.78 142.4 26.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.566 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 4.8 Cg_exo -74.97 115.25 4.23 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.884 2.389 . . . . 0.0 111.921 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 16.9 Cg_exo -68.49 157.08 63.32 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.732 2.288 . . . . 0.0 111.77 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.63 110.23 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.012 0.434 . . . . 0.0 110.449 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.28 -162.64 0.96 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.518 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 21.2 t70 -70.63 131.09 88.17 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.492 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.86 -24.66 60.86 Favored 'Trans proline' 0 N--CA 1.473 0.319 0 C-N-CA 123.28 2.654 . . . . 0.0 113.636 -176.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 68.0 mtm180 -68.88 -13.44 62.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -55.87 -34.34 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -23.52 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.369 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 m -92.67 -32.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.534 ' HB3' ' HG2' ' A' ' 71' ' ' PRO . 26.6 m-85 -83.93 -38.24 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.945 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.482 HG13 ' HG2' ' A' ' 70' ' ' GLU . 98.1 t -68.89 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.042 0.449 . . . . 0.0 110.166 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -87.71 127.09 35.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.182 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.68 130.31 48.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.14 157.23 43.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.726 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.8 m -126.21 120.29 29.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.717 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.503 HG22 ' HD1' ' A' ' 119' ' ' PHE . 70.1 p -58.94 133.73 56.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.42 -177.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -70.22 -179.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.61 -24.85 58.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -86.67 4.1 41.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.057 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.536 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 66.8 42.87 92.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.357 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.2 ttp85 -137.36 145.06 42.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.503 ' HD1' HG22 ' A' ' 113' ' ' THR . 14.5 p90 -123.23 123.92 41.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.005 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -111.87 127.51 55.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.441 ' HB3' HD11 ' A' ' 124' ' ' ILE . 92.5 m-85 -116.36 153.08 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.352 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -162.18 -177.91 6.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 173.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 77.9 m-70 63.72 28.69 14.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -174.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ILE . . . . . 0.505 ' C ' ' HA3' ' A' ' 42' ' ' GLY . 67.1 mt -109.61 134.54 20.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.644 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.31 178.45 5.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.768 2.312 . . . . 0.0 112.019 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -91.81 141.09 29.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.43 -167.46 35.09 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.965 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.4 p -97.27 134.8 40.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.574 0.226 . . . . 0.0 110.891 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -134.67 149.8 50.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 155' ' ' LEU . 32.0 m-85 -103.13 121.53 42.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.883 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 153' ' ' THR . 74.2 mt -97.49 104.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.0 m -111.88 142.64 44.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.09 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.414 ' OG ' HD21 ' A' ' 168' ' ' LEU . 18.2 p -157.18 143.1 17.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -109.92 105.62 14.86 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.307 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 52' ' ' LEU . 48.1 tp -125.83 111.84 15.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.1 p -121.37 137.47 54.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.201 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.486 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.2 p90 -133.59 155.14 50.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.271 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HG22 ' A' ' 145' ' ' THR . 8.8 p -98.3 123.61 42.48 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -81.1 119.12 23.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.417 0.627 . . . . 0.0 110.305 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.5 m -106.25 -146.55 0.39 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.155 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.79 84.74 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.878 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.05 -12.31 54.35 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.27 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -125.8 142.62 51.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.981 0.39 . . . . 0.0 110.646 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 138' ' ' SER . 24.3 m -100.06 106.95 18.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.7 pt -94.89 171.55 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.4 m -117.52 120.68 38.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.486 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 35.0 mt-10 -103.76 168.6 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 94.3 -162.36 24.7 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.276 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 148.4 -149.31 21.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.8 m -96.1 108.89 21.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 0.0 110.333 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.82 137.62 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.288 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 42.8 m -136.42 129.12 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 169' ' ' THR . 54.6 mttm -109.5 134.02 52.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.2 tp -87.03 105.29 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 47.3 t -104.94 115.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.685 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.5 m -93.21 99.79 12.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.958 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 46' ' ' ILE . 40.6 t -89.09 92.87 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.197 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.0 t -110.4 29.0 8.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.403 0.62 . . . . 0.0 109.841 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -150.06 137.04 5.96 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.405 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.5 m -96.52 63.93 2.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.348 0.594 . . . . 0.0 111.145 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.24 165.78 16.86 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.566 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.478 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 27.3 Cg_exo -63.14 109.99 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.774 2.316 . . . . 0.0 112.21 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -118.93 125.37 49.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.61 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 31.9 ttpt -94.56 116.88 29.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.299 0.571 . . . . 0.0 110.365 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.465 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.7 t -105.48 111.76 36.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.15 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 165' ' ' LYS . 9.0 mp -79.15 113.8 17.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.139 0.495 . . . . 0.0 110.586 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 50' ' ' LEU . 31.2 tp -81.11 100.67 9.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.822 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.492 ' HA ' HD23 ' A' ' 52' ' ' LEU . 13.0 t -163.53 -169.95 2.09 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.5 ' HG2' ' OXT' ' A' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.724 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 57.8 Cg_exo -40.61 106.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.607 2.872 . . . . 0.0 113.783 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -85.13 -42.95 14.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.442 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.721 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 87.4 m-85 -76.12 -52.79 2.41 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.375 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 22.3 Cg_exo -65.5 123.28 11.21 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 0.0 111.434 176.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -172.11 -47.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.568 -173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -11.1 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.106 -170.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.32 -27.3 65.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -67.64 -30.19 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.46 -13.61 56.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.97 0.414 . . . . 0.0 110.705 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.69 26.95 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -80.36 148.69 30.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -101.88 142.15 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 111.202 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -103.6 -6.04 22.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.44 138.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.755 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -179.51 158.76 22.89 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.69 -1.73 22.8 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.952 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -59.46 132.4 51.72 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.208 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.1 t -119.84 120.3 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.7 mt -108.96 123.12 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.97 0.414 . . . . 0.0 110.719 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.46 104.87 12.71 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -114.38 140.23 16.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.678 -172.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -115.74 114.8 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 35.6 tp -93.16 115.26 27.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.73 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 30.4 p90 -159.65 118.5 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.825 172.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 169' ' ' THR . 80.7 mt -99.02 122.17 41.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.297 -174.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -74.51 125.16 27.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.339 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -80.77 171.06 15.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.957 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.73 63.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.284 0.564 . . . . 0.0 110.386 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 p -87.72 -9.28 54.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.588 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 9.15 86.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.153 -176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.594 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -60.64 -47.57 85.63 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 67.8 mt 77.92 127.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.708 0.63 . . . . 0.0 111.539 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 20.1 mm-40 -120.94 123.19 41.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.951 173.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.602 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 25.0 mmtt -65.7 -78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.733 0.302 . . . . 0.0 111.667 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.07 73.51 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.338 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 115' ' ' GLN . 2.1 p -85.81 104.99 16.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.563 -176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.61 71.38 0.5 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.48 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.506 HG21 ' HB2' ' A' ' 135' ' ' LEU . 15.2 m -129.84 150.55 51.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.888 -173.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 133' ' ' SER . 33.1 mttm -79.69 111.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.986 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 89.8 t -105.76 100.01 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 168.317 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.31 119.17 32.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 131' ' ' ILE . 66.2 tp -107.26 111.18 23.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.274 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.571 ' HB3' HG22 ' A' ' 108' ' ' VAL . 13.7 pt-20 -130.2 146.31 61.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.906 0.384 . . . . 0.0 110.923 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.88 141.43 58.82 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.069 2.513 . . . . 0.0 112.544 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 99.95 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.295 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.0 p -102.82 168.24 9.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 8.4 m -74.17 -30.06 62.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 77.4 t80 -68.24 -41.78 80.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.795 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 tpt -86.6 -7.42 58.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.835 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.39 -41.79 80.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.85 59.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.201 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -69.75 -46.45 65.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -73.8 -9.89 59.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.327 0.584 . . . . 0.0 109.817 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.26 -55.82 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.076 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.2 -101.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.502 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.86 -114.28 6.17 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.987 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -76.23 96.6 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 7.9 tt -124.89 106.25 9.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.135 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.526 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 15.6 t70 -67.49 163.0 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.729 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.35 64.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.691 175.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.72 60.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.096 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.558 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 51.1 mtpt -102.76 8.86 39.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.0 109.975 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' A' ' 86' ' ' LEU . 27.7 tpt180 -69.27 112.27 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.141 -174.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 12.2 t70 -118.3 123.01 29.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 97.5 Cg_endo -93.42 5.07 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.174 2.583 . . . . 0.0 113.778 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -100.6 -39.05 8.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.285 -0.26 . . . . 0.0 110.827 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.39 106.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 0.0 110.537 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 52.8 mt-30 -84.1 139.23 39.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.74 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 19.6 Cg_exo -66.49 114.22 3.0 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 110.657 172.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.72 159.99 26.49 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.859 2.372 . . . . 0.0 112.814 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.43 110.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.033 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.98 -172.66 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.681 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.6 t70 -64.03 129.31 93.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.382 -174.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -79.26 -16.8 12.02 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.893 2.395 . . . . 0.0 113.674 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -67.34 -15.47 63.71 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.546 0.212 . . . . 0.0 111.514 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.1 ptm85 -61.95 -22.9 66.02 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.787 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.27 70.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.008 0.432 . . . . 0.0 110.427 176.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -95.9 -31.23 13.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.919 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' ARG . 15.5 m-85 -75.21 -41.5 57.57 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 70' ' ' GLU . 52.2 t -74.27 119.16 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.31 124.2 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.983 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.36 124.82 47.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.858 0.361 . . . . 0.0 110.649 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.15 109.35 19.37 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.965 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 m -82.5 101.31 10.62 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 119' ' ' PHE . 12.3 p -60.29 128.01 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.748 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -66.9 171.68 5.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 0.0 109.65 174.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.546 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.3 mt-30 -57.18 -18.25 14.72 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.441 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -65.01 -30.97 71.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 111.029 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.77 6.97 75.59 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -100.56 146.32 27.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.775 0.322 . . . . 0.0 110.924 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HB3' HG22 ' A' ' 113' ' ' THR . 51.7 p90 -140.93 140.94 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.0 147.74 50.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.703 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.576 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 57.3 m-85 -141.15 150.17 42.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 176.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 2.8 p30 -150.09 -177.14 5.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.621 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 63.37 35.94 11.89 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 123.47 0.481 . . . . 0.0 109.81 -174.786 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.41 119.21 63.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.267 -175.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.62 131.69 26.78 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.14 1.894 . . . . 0.0 110.249 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -63.79 130.06 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.409 0.623 . . . . 0.0 111.364 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 -166.33 39.48 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.912 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.5 p -97.39 125.55 42.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.573 0.225 . . . . 0.0 111.239 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -130.83 148.37 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 111.338 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 155' ' ' LEU . 44.5 m-85 -101.41 120.63 40.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.003 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 69' ' ' LEU . 69.1 mt -95.92 104.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 t -111.52 113.76 26.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.435 -176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 15.1 p -115.81 130.49 56.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -99.54 100.62 11.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.138 0.494 . . . . 0.0 110.118 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 65' ' ' THR . 59.8 tp -140.13 107.66 5.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.854 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.2 t -126.46 137.28 53.38 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.9 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -132.14 170.98 14.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.589 -175.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 p -123.12 125.31 44.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.639 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.06 151.69 30.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.71 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -109.42 117.73 34.78 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.23 0.538 . . . . 0.0 111.571 -173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 144' ' ' LYS . 6.7 t -103.64 -173.99 2.44 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 171.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.73 98.25 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.492 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 81.93 -3.06 81.79 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.743 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 141' ' ' SER . 74.5 mmtt -127.06 108.52 11.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 47.2 m -91.13 102.19 14.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.3 pt -91.76 137.99 20.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.041 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.1 m -107.05 111.96 24.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.971 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 36.8 mt-10 -105.42 177.82 4.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.455 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.35 -136.96 16.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.299 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.68 -125.4 6.0 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.5 m -120.81 105.1 10.4 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.087 0.47 . . . . 0.0 109.77 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.4 p -102.19 128.56 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.051 0.453 . . . . 0.0 110.512 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 32.0 m -119.09 121.22 39.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -109.48 119.73 40.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.5 tp -80.64 111.67 17.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.208 0.528 . . . . 0.0 110.318 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.9 129.97 63.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.02 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.4 t -107.98 91.83 3.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.769 0.795 . . . . 0.0 110.249 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.24 98.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.1 m -96.71 -12.33 23.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -135.29 163.31 24.89 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.674 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' SER . . . . . 0.479 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.4 m -87.28 15.9 5.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.302 0.572 . . . . 0.0 110.957 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -84.39 156.64 62.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.998 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.13 111.95 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.856 2.371 . . . . 0.0 112.794 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -97.13 106.93 19.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -85.51 118.93 25.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.906 0.384 . . . . 0.0 110.108 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' VAL . . . . . 0.441 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 83.9 t -114.93 114.94 47.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.086 -176.6 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.34 106.47 18.47 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 14.3 tp -87.89 92.87 9.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.5 t -141.93 167.95 20.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.9 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 6.4 ptm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.828 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -63.88 -54.15 39.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 110.641 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t 63.08 88.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.425 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -87.58 108.95 19.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -139.49 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 112.02 -168.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -112.78 -160.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -72.25 134.83 45.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -73.18 -26.25 61.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.0 109.603 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -143.92 114.93 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.454 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -72.92 116.41 13.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 m -118.52 13.73 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.901 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.05 -124.3 7.3 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.459 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -91.59 -55.64 3.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.115 0.483 . . . . 0.0 110.102 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.48 124.8 1.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.04 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.65 141.35 49.75 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.379 2.053 . . . . 0.0 111.936 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.4 mtm105 65.64 89.17 0.1 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.805 0.691 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.85 -164.65 28.62 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.57 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 m -154.26 -169.87 3.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' HB2' ' OG ' ' A' ' 22' ' ' SER . 97.5 m-70 -86.29 -91.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.887 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.503 ' C ' ' H ' ' A' ' 22' ' ' SER . 66.2 mtt -138.55 83.55 1.97 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 71.96 -31.4 0.23 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.994 0.809 . . . . 0.0 110.705 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 20' ' ' MET . 5.3 p -69.78 125.58 27.16 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.135 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.451 HD21 ' CD ' ' A' ' 32' ' ' GLU . 24.8 p-10 -77.66 147.01 74.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.394 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -92.2 21.14 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.805 2.336 . . . . 0.0 113.677 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.641 ' HA ' HG13 ' A' ' 99' ' ' VAL . 9.7 m120 -63.34 -56.3 17.47 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 t70 62.57 20.53 12.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.733 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 2.1 tt -87.81 -54.37 0.36 Allowed Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.024 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.694 ' HB3' ' HA ' ' A' ' 75' ' ' TYR . 95.0 Cg_endo -84.69 149.27 11.22 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.908 1.739 . . . . 0.0 112.576 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.54 -37.13 32.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 110.358 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -88.13 155.16 52.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.809 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.13 131.12 43.97 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.769 2.313 . . . . 0.0 112.303 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' CD ' HD21 ' A' ' 23' ' ' ASN . 10.1 pt-20 -93.11 18.22 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.418 0.627 . . . . 0.0 110.43 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -49.79 -22.66 1.5 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.604 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -9.79 21.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' CE1' ' HG2' ' A' ' 104' ' ' ARG . 45.5 m-85 -61.65 -41.59 97.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 0.0 110.53 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.05 21.88 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.49 -32.59 7.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.546 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -80.68 84.87 6.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.977 0.894 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -139.94 118.69 12.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.0 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 125' ' ' PRO . 23.5 tt0 178.42 110.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.02 109.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.381 0.61 . . . . 0.0 109.998 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -111.92 179.52 19.62 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.565 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.68 28.1 3.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.741 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.97 96.31 0.77 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.677 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.04 112.41 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.9 mt -104.06 126.26 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -115.86 99.65 7.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.37 131.28 10.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.97 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -107.51 120.38 42.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.77 123.57 43.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 14.5 p90 -174.74 123.02 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 121.017 0.437 . . . . 0.0 110.886 176.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 169' ' ' THR . 70.6 mt -98.91 126.45 44.59 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 127.63 34.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.454 -178.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.8 t -70.14 161.24 30.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.4 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.347 0.594 . . . . 0.0 110.602 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -10.83 59.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.196 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.64 73.79 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.6 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 131.65 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.401 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.79 109.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 111.605 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.33 108.76 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 25.9 mttt -71.63 -71.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.83 85.8 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.289 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -89.7 129.85 36.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -177.276 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.4 t30 58.78 33.69 23.23 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.691 0.758 . . . . 0.0 109.996 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 m -105.57 134.83 48.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.642 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -89.97 113.26 24.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.042 0.449 . . . . 0.0 111.647 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -89.87 109.89 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.769 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -98.22 118.7 35.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.064 0.459 . . . . 0.0 110.998 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -100.36 100.5 11.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.0 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -122.23 150.02 55.98 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.982 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 19.8 Cg_exo -66.18 143.22 70.37 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.94 2.427 . . . . 0.0 113.134 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.92 97.6 10.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.866 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -102.19 170.63 7.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.059 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -60.29 -26.32 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.876 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.694 ' HA ' ' HB3' ' A' ' 28' ' ' PRO . 56.6 t80 -60.93 -35.28 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.374 176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.648 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.94 -39.75 90.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.05 -38.24 19.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.985 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -66.9 -47.23 72.42 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.5 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.79 -35.85 81.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.612 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.15 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.244 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -74.22 -58.34 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.813 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -108.28 -84.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.22 -113.16 4.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.416 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 151' ' ' THR . 94.0 m-20 -87.03 96.18 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.0 0.429 . . . . 0.0 110.189 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 91' ' ' ARG . 2.9 tt -123.16 120.02 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.269 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.7 147.81 52.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.243 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -63.89 -18.26 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.32 -13.44 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -133.12 31.48 3.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.224 0.535 . . . . 0.0 110.142 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 8.9 tpt180 -76.0 87.11 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.775 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -81.38 124.37 80.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -95.92 11.54 1.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.329 2.686 . . . . 0.0 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.87 -39.45 5.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.781 0.324 . . . . 0.0 110.953 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.25 111.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.469 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.2 pt20 -82.94 128.7 64.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.933 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 3.7 Cg_exo -75.25 152.36 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.887 2.391 . . . . 0.0 111.652 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.7 173.74 12.14 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 111.547 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.641 HG13 ' HA ' ' A' ' 25' ' ' ASN . 4.0 p -71.43 115.24 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.285 0.564 . . . . 0.0 110.305 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . 74.2 mt -82.21 149.84 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.773 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.0 t70 -62.53 125.82 86.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 12.8 Cg_exo -70.19 -17.75 35.4 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.051 2.501 . . . . 0.0 112.972 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 25.1 tpt180 -70.94 -26.54 63.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 109.867 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 108' ' ' VAL . 54.3 mtp85 -57.18 -37.73 72.56 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 174.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.09 -22.94 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -84.3 -39.21 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.922 0.392 . . . . 0.0 110.426 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -81.63 -21.42 38.26 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 104' ' ' ARG . 57.5 t -68.53 103.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.405 0.622 . . . . 0.0 110.751 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 109' ' ' ARG . 12.3 mtm180 -91.94 121.01 33.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.972 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -101.9 125.03 48.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.934 0.397 . . . . 0.0 111.418 -172.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.27 99.05 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.432 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 m -82.13 112.07 18.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.212 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 p -75.39 112.47 11.74 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.391 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.96 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.217 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.3 tt0 -135.95 -36.09 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.737 -176.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.91 -18.83 64.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.513 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.32 33.06 81.21 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.25 144.31 42.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -136.46 155.61 49.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.509 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.5 152.81 48.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.025 0.441 . . . . 0.0 110.654 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.45 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 72.6 m-85 -133.09 166.45 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.465 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.19 150.03 26.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.512 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 19.0 m80 61.32 64.9 1.02 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.642 0.589 . . . . 0.0 111.987 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.08 134.23 26.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.016 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 40' ' ' GLN . 28.4 Cg_endo -65.24 160.98 39.55 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.774 2.316 . . . . 0.0 112.7 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -81.76 159.28 23.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.319 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.28 -159.3 27.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.883 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -113.46 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.24 162.32 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.558 -175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.72 124.69 52.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.456 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 153' ' ' THR . 58.4 mt -95.72 107.83 20.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 68' ' ' ALA . 15.4 p -98.77 126.72 44.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 p -149.99 120.8 7.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.22 91.34 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.17 116.6 28.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.123 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.3 t -139.76 149.86 44.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.216 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -140.83 133.47 28.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.947 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 t -112.2 104.11 12.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.212 0.529 . . . . 0.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.89 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 14.6 mt-30 -96.14 131.59 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 142' ' ' ASP . 9.1 t -120.46 117.77 28.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 141' ' ' SER . 18.7 t70 72.97 -46.74 0.66 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.859 0.724 . . . . 0.0 110.915 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -179.2 -29.19 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.213 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -93.11 142.43 27.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 110.416 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 2.4 m -83.78 106.92 15.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.167 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.7 pt -95.35 160.01 2.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -123.59 102.51 7.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.35 159.49 14.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.834 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.56 33.43 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.711 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.75 -138.27 7.25 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 40.6 p -89.4 102.08 14.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 117.228 0.514 . . . . 0.0 110.233 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 p -101.39 116.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 121.848 0.833 . . . . 0.0 110.27 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 3.2 m -117.46 122.5 43.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.464 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.715 ' HD2' ' HG ' ' A' ' 168' ' ' LEU . 46.4 tttm -109.07 130.4 55.48 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.818 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.28 106.07 12.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.23 117.66 52.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.854 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.9 t -93.21 127.24 38.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.346 0.593 . . . . 0.0 109.792 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.19 107.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.326 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 34.6 p -122.85 3.52 9.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.165 0.507 . . . . 0.0 110.306 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -99.92 115.91 5.44 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.457 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 23.9 m -82.94 -17.53 43.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.435 0.636 . . . . 0.0 109.906 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 95.8 mt-30 -95.68 162.71 23.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 92.5 Cg_exo -43.3 105.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.09 2.527 . . . . 0.0 112.772 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -95.03 103.65 15.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.4 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -78.92 117.65 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.534 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.48 137.84 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.389 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.466 HD13 ' OH ' ' A' ' 51' ' ' TYR . 34.8 mt -111.11 126.33 54.71 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.715 ' HG ' ' HD2' ' A' ' 154' ' ' LYS . 6.0 tt -106.18 98.84 8.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 176.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 52' ' ' LEU . 1.6 t -136.27 3.47 2.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.121 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.488 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 18.0 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.835 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -165.47 164.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.834 0.349 . . . . 0.0 110.346 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -77.35 85.49 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -89.22 95.84 10.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.896 0.855 . . . . 0.0 109.237 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -87.09 -48.27 8.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.628 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 177.12 147.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -63.62 150.95 42.98 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.145 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -72.76 80.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.479 0.657 . . . . 0.0 111.288 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -136.77 -6.54 1.91 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.819 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -81.08 80.79 7.48 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.514 -0.767 . . . . 0.0 108.983 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -84.86 169.28 14.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.882 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.64 48.21 4.02 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.469 -0.872 . . . . 0.0 110.996 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 6.5 mp -80.99 85.57 6.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.205 0.526 . . . . 0.0 109.888 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.68 65.26 75.91 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 13' ' ' LEU . 4.4 Cg_exo -80.1 128.91 7.58 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.926 2.418 . . . . 0.0 112.81 -174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.04 -12.63 0.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.374 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.54 69.95 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.11 -0.566 . . . . 0.0 111.732 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -83.65 30.21 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.959 0.409 . . . . 0.0 111.655 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -142.2 14.46 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt 63.96 178.46 0.17 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.858 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 102.87 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -71.34 -50.59 30.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -158.4 121.16 2.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.55 -177.91 2.37 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.584 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -75.19 168.5 19.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.04 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.428 0.632 . . . . 0.0 110.871 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -141.95 153.38 63.99 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.189 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.77 160.67 45.48 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.446 2.098 . . . . 0.0 111.995 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.23 94.61 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.111 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -141.99 129.09 11.36 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.914 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.79 119.29 5.82 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . 1.8 mp0 -72.65 89.24 1.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.265 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -95.45 -30.44 13.87 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.988 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' HG22 ' A' ' 73' ' ' THR . 3.2 mp0 -61.2 -32.8 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.51 0.195 . . . . 0.0 111.306 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.552 ' HD2' ' HB3' ' A' ' 32' ' ' GLU . 94.0 m-85 -69.06 -13.95 62.74 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.22 -2.57 22.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.135 0.493 . . . . 0.0 110.227 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.26 4.21 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.852 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -73.98 98.47 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 98.8 mt-30 -137.84 -165.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.322 -176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 49.6 mt-30 79.31 113.41 0.07 Allowed 'General case' 0 CA--C 1.517 -0.321 0 O-C-N 124.101 0.876 . . . . 0.0 110.678 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.39 104.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.913 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -64.03 127.96 36.35 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.789 -0.642 . . . . 0.0 113.558 -170.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.12 -2.34 16.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.723 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.64 153.26 42.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.867 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 45.8 t -124.23 125.69 70.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.351 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 67.1 mt -101.42 125.54 55.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 163' ' ' PRO . 14.3 m120 -102.77 103.47 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.593 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.19 129.11 8.87 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.842 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -117.28 119.69 35.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 168' ' ' LEU . 51.6 tp -96.71 126.2 41.7 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 2.0 p90 -170.85 109.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.914 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HD23 ' A' ' 135' ' ' LEU . 77.3 mt -98.5 134.84 40.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.752 0.311 . . . . 0.0 110.345 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 p -85.62 130.34 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.105 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -86.18 177.57 7.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.248 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.61 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 111.712 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 p -87.25 -5.1 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.856 0.36 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.73 66.76 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.416 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 157.74 27.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 61.4 mt -112.56 112.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.053 0.454 . . . . 0.0 110.922 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.3 104.55 16.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 36.8 mmtt -59.67 -65.15 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.837 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.19 93.1 2.25 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.423 -0.894 . . . . 0.0 111.362 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 115' ' ' GLN . 10.2 m -100.5 128.97 46.4 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 65.38 30.56 10.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.275 0.56 . . . . 0.0 110.798 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -89.12 143.51 26.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.637 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -97.63 119.15 35.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.317 0.579 . . . . 0.0 111.073 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.53 124.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.093 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.92 118.08 35.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.866 0.365 . . . . 0.0 110.528 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.08 109.53 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.113 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' ' HB2' ' A' ' 130' ' ' TYR . 8.3 pt-20 -119.42 145.9 39.82 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.635 -178.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 22.5 Cg_exo -65.14 124.18 12.63 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.518 2.145 . . . . 0.0 111.849 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 128' ' ' THR . . . -66.61 113.88 5.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.181 0.515 . . . . 0.0 109.853 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -128.23 142.21 51.23 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.776 -173.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 p -63.91 -23.21 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.45 -26.59 66.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.089 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.906 ' HG3' HH21 ' A' ' 104' ' ' ARG . 91.1 mmm -97.48 2.16 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -64.08 -31.26 72.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.582 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.99 24.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -62.17 -40.52 96.29 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.988 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -55.03 -34.52 63.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.163 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.91 -21.95 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.65 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.79 -38.39 19.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.118 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.15 -94.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.944 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.59 -134.41 44.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.36 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.1 p30 -81.41 87.37 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 109.999 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 87' ' ' ASP . 10.2 tt -127.09 127.84 45.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.96 -175.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.0 m-20 -59.41 136.34 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.736 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.454 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -53.02 -34.18 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.27 -12.81 61.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.892 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -101.51 -6.47 23.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.598 0.237 . . . . 0.0 110.577 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -66.98 102.94 1.05 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.503 0.668 . . . . 0.0 110.188 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 26.1 t0 -92.56 123.09 62.92 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.799 -173.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 32.0 Cg_exo -59.52 -24.31 74.44 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.17 2.58 . . . . 0.0 113.033 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.505 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 13.3 t70 -62.66 -34.32 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.224 0.535 . . . . 0.0 110.517 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.2 103.16 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 20.3 pt20 -95.89 139.83 22.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.308 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 15.9 Cg_exo -68.81 124.45 11.48 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.798 2.332 . . . . 0.0 111.631 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.03 151.44 72.23 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 112.241 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 112.56 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.649 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.536 HD13 ' HG3' ' A' ' 104' ' ' ARG . 95.1 mt -85.07 173.36 10.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 13.2 t70 -75.71 139.24 70.25 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.62 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.44 -29.35 48.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.416 2.744 . . . . 0.0 113.219 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -65.2 -17.74 64.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.564 0.221 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.906 HH21 ' HG3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -56.45 -48.49 76.94 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.108 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.77 64.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.66 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.4 m -85.33 -33.74 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -94.84 -22.76 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 104' ' ' ARG . 59.5 t -76.85 99.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.93 139.73 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.676 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -112.9 121.84 45.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -175.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.11 129.83 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.3 m -90.04 127.31 36.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.4 p -67.27 139.64 57.32 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.185 0.516 . . . . 0.0 111.467 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 12.5 t70 -67.07 173.73 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.414 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.446 ' HA ' HG23 ' A' ' 63' ' ' THR . 62.9 tt0 -53.21 -35.73 60.22 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.159 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 65.3 t30 -87.97 11.65 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 72.36 18.6 78.34 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.561 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -90.87 138.52 31.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.34 . . . . 0.0 110.524 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.439 ' HE1' ' HB2' ' A' ' 50' ' ' LEU . 39.1 p90 -144.33 123.88 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.934 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -113.79 136.49 52.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.347 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 76.1 m-85 -114.87 111.86 21.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.38 168.5 10.17 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 50.5 m80 62.47 56.17 2.13 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 110.632 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 121' ' ' PHE . 50.1 mm -113.28 110.31 50.85 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.609 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -72.18 157.93 52.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.287 1.991 . . . . 0.0 110.928 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -72.72 130.66 41.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.153 0.501 . . . . 0.0 111.583 -177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.31 -173.52 42.47 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.138 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.498 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 m -99.42 141.84 31.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 117.229 0.514 . . . . 0.0 110.18 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.27 150.95 51.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.174 0.511 . . . . 0.0 111.99 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.665 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 28.1 m-85 -107.41 118.26 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.214 171.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.5 HD12 HG11 ' A' ' 166' ' ' VAL . 71.2 mt -95.48 107.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -114.56 121.91 44.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.9 t -145.68 141.2 27.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -104.88 102.7 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.203 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.419 HD23 ' HG ' ' A' ' 52' ' ' LEU . 50.6 tp -109.38 115.01 29.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.083 0.468 . . . . 0.0 109.828 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.9 p -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.521 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.7 p90 -139.88 152.47 46.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 145' ' ' THR . 7.1 t -105.8 123.89 48.68 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.09 142.86 45.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 -173.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -85.59 123.36 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.3 t -140.26 98.23 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.082 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 65.22 41.06 4.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.941 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.24 -20.48 25.86 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.459 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.63 123.76 33.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.548 HG22 ' OG ' ' A' ' 138' ' ' SER . 1.2 m -90.43 101.49 14.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.5 pt -90.55 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.2 m -123.69 121.05 34.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.389 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.521 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 49.3 mt-10 -113.79 163.39 15.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 105.58 -162.11 14.37 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.007 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 153.86 -159.77 28.94 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.765 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 21.7 p -88.56 102.56 15.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.53 118.46 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.37 0.605 . . . . 0.0 110.06 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.7 m -103.87 118.9 37.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 168' ' ' LEU . 30.5 tptt -109.37 119.98 41.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.724 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.47 121.19 27.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 81.6 t -129.69 128.57 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.0 m -107.64 114.19 28.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.57 93.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 110.508 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.8 p -107.23 28.13 8.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 110.693 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -148.98 159.13 27.92 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.616 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 19.3 m -94.66 -26.96 16.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.012 0.435 . . . . 0.0 110.474 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.33 151.01 97.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.187 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 68.2 Cg_exo -40.91 118.49 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.938 3.092 . . . . 0.0 113.728 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.02 114.85 26.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.367 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -83.74 117.42 23.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.558 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.2 t -123.05 118.64 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.31 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.75 108.45 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.098 0.475 . . . . 0.0 110.297 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 50' ' ' LEU . 26.9 tp -88.5 82.71 6.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 9.9 t -124.84 -16.56 6.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.198 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.655 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.208 -0.357 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -76.82 -49.18 16.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -147.6 177.04 9.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.312 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -89.27 22.33 2.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.242 0.544 . . . . 0.0 111.23 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 8' ' ' HIS . 24.9 m-70 -83.59 86.12 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 171.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 p-80 -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.935 0.398 . . . . 0.0 111.893 -173.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -112.06 -48.82 3.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 167.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' O ' ' HB3' ' A' ' 5' ' ' HIS . 89.6 m-70 -136.0 146.06 46.77 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 166.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -93.5 -58.63 2.23 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.043 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m 57.5 38.83 28.2 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 123.508 0.505 . . . . 0.0 111.682 173.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 t -72.88 85.41 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 109.795 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.21 107.52 2.36 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.764 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.39 -32.29 73.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.341 0.591 . . . . 0.0 109.666 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 9.0 m -97.41 107.74 40.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.774 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 14' ' ' VAL . 16.8 Cg_exo -68.44 -24.56 36.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.815 2.343 . . . . 0.0 112.344 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -159.53 169.56 23.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.939 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.0 90.68 1.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -62.72 -44.65 95.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.641 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.09 118.35 11.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.996 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 mmt -75.96 146.24 39.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.681 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.83 89.94 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.708 0.63 . . . . 0.0 111.18 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.1 p -73.03 -172.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.572 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 64.1 t30 -65.38 114.3 15.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 23' ' ' ASN . 21.7 Cg_exo -64.75 90.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.367 2.711 . . . . 0.0 114.352 -168.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 51.52 56.53 7.75 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.519 170.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.36 90.91 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.373 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 98' ' ' PRO . 94.1 mt 67.12 93.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.39 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.15 149.17 64.03 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.918 2.412 . . . . 0.0 112.088 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -83.81 77.48 9.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.468 0.651 . . . . 0.0 110.651 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -97.46 165.02 16.42 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.877 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.41 -18.89 61.09 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 112.448 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 69.21 17.86 8.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.873 0.844 . . . . 0.0 109.699 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -91.33 -7.03 52.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 34' ' ' GLU . 4.7 mp0 -67.25 -19.97 65.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.153 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.77 -22.56 65.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -88.1 4.57 44.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.44 11.82 24.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.336 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -129.11 18.8 5.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.051 0.453 . . . . 0.0 110.469 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 4.0 pt20 -98.41 23.77 8.09 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.989 -174.254 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -91.61 -111.75 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.03 149.35 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.94 155.63 24.49 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.507 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.65 16.02 1.24 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.054 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.01 108.99 2.73 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.045 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.46 103.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.907 0.384 . . . . 0.0 110.081 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.8 mt -93.3 122.77 45.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.931 0.396 . . . . 0.0 110.321 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -104.83 99.7 9.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.18 127.81 9.37 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.508 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.49 112.35 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 168' ' ' LEU . 30.3 tp -96.04 127.02 41.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.261 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -167.01 121.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.863 171.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 169' ' ' THR . 92.5 mt -104.08 136.4 43.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.53 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p -81.39 111.01 17.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -71.79 164.92 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.397 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.48 67.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 111.423 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -81.21 -10.43 59.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.73 26.54 71.18 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.18 -16.32 38.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.559 0.219 . . . . 0.0 111.303 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt 66.99 111.4 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.572 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 12.4 mm100 -106.19 117.05 33.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.647 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 29.1 mmtt -70.62 -70.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.061 -176.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 95.62 1.46 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.554 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -92.67 113.5 25.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 54.67 67.38 1.02 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.462 0.649 . . . . 0.0 110.622 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' THR . 4.3 m -110.58 147.66 33.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.66 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 110' ' ' GLU . 42.3 tptt -78.13 120.25 22.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.064 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.53 112.32 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.065 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.7 115.66 30.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 131' ' ' ILE . 8.1 tt -108.78 112.27 24.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.913 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -127.48 155.81 76.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.16 133.21 39.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.043 2.495 . . . . 0.0 113.271 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -87.11 128.43 35.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.154 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 t -148.08 157.39 43.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.696 -175.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -61.88 -26.4 68.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.442 0.639 . . . . 0.0 110.04 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' HD2' ' HG3' ' A' ' 76' ' ' MET . 53.9 t80 -57.23 -32.95 67.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.774 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.449 ' HG3' ' HD2' ' A' ' 75' ' ' TYR . 83.7 mtp -107.43 15.87 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.076 -175.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.98 -44.51 91.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.59 81.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.685 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -68.21 -33.14 73.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.214 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.35 -33.66 55.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.81 56.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.425 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -77.98 -53.98 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.407 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.84 -85.51 0.35 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.39 -120.79 10.44 Favored Glycine 0 C--N 1.334 0.425 0 O-C-N 123.675 0.609 . . . . 0.0 112.688 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.556 HD21 ' HG2' ' A' ' 170' ' ' ARG . 32.3 t-20 -81.69 81.25 7.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.481 ' HG ' ' HG3' ' A' ' 90' ' ' LYS . 6.1 tt -102.28 116.95 33.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.501 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.33 170.75 15.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.248 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HA ' ' HG2' ' A' ' 91' ' ' ARG . . . -71.04 -18.8 62.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.844 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 35.2 pttt -111.17 39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 111.267 -178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HG2' ' HA ' ' A' ' 88' ' ' ALA . 15.4 mmt85 -72.66 113.22 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.667 174.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -99.53 113.69 65.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.32 -2.77 8.6 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.639 2.226 . . . . 0.0 112.882 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -102.82 -47.91 4.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.828 0.346 . . . . 0.0 110.23 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.2 87.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 109.762 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -79.27 151.44 75.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.69 120.92 8.63 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.517 2.144 . . . . 0.0 111.266 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HG3' HD11 ' A' ' 27' ' ' LEU . 37.4 Cg_endo -65.59 166.06 21.03 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.791 2.327 . . . . 0.0 112.638 -176.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.78 106.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.8 -172.93 2.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.237 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.473 ' OD2' ' HG3' ' A' ' 104' ' ' ARG . 3.6 t70 -52.62 133.6 45.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.154 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.79 -19.33 12.71 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.974 2.449 . . . . 0.0 112.765 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -72.82 -15.78 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.506 . . . . 0.0 110.325 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' HG3' ' OD2' ' A' ' 101' ' ' ASP . 39.5 mtp-105 -56.47 -29.26 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.703 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.15 21.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 111.297 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.2 m -115.22 -37.73 4.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -94.65 -14.1 25.22 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 70' ' ' GLU . 91.0 t -82.3 108.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 109.766 176.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -86.2 112.32 21.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.331 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 43.5 mt-10 -101.57 116.66 33.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -110.88 175.01 5.59 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.973 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.1 m -142.4 127.48 18.5 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.251 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.421 HG21 HD23 ' A' ' 50' ' ' LEU . 29.3 p -59.55 137.96 57.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 10.7 p-10 -54.98 -61.89 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 26.7 tt0 179.71 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.725 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -92.4 11.08 27.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.58 26.08 47.98 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.673 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -109.96 147.19 33.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.409 -0.465 . . . . 0.0 111.319 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -143.56 130.63 20.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.497 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -111.69 128.72 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.62 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 18.7 m-85 -115.77 142.69 46.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -144.1 157.85 44.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 m80 66.01 34.32 7.09 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.641 0.588 . . . . 0.0 111.751 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.95 126.77 45.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.307 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.11 159.53 38.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.149 2.566 . . . . 0.0 112.215 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.29 137.85 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.35 -144.9 11.33 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -136.29 136.37 39.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -132.85 164.64 26.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.478 ' CE1' HD13 ' A' ' 155' ' ' LEU . 50.0 m-85 -110.02 124.45 51.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.333 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 69' ' ' LEU . 63.8 mt -101.08 104.66 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -110.25 125.14 52.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -137.65 132.63 33.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.373 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -96.65 107.15 19.54 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.101 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.601 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 48.9 tp -117.61 93.22 4.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' A' ' 147' ' ' THR . 45.1 p -110.12 112.97 25.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.568 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 45.4 p90 -115.63 159.16 21.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.5 p -101.62 129.69 47.79 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.895 0.378 . . . . 0.0 111.093 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.85 124.68 43.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.891 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.31 118.52 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 0.0 111.132 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.8 t -107.02 -164.56 1.0 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.66 95.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.363 . . . . 0.0 111.262 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 70.56 -1.76 19.58 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.328 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -136.67 116.47 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.513 -0.404 . . . . 0.0 110.688 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -88.48 114.24 24.9 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.06 0.457 . . . . 0.0 109.877 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.8 pt -93.79 147.94 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -176.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 136' ' ' THR . 40.5 m -98.11 104.27 16.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.932 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 39.5 mt-10 -86.7 175.64 8.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.602 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.601 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 88.65 -98.21 2.4 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.084 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.98 -157.38 25.08 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.829 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.8 m -96.15 102.61 14.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.987 0.422 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 85' ' ' ASN . 7.3 p -95.92 125.83 48.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.206 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 61.6 m -117.35 121.81 42.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.077 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -110.29 126.42 54.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.722 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.478 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.6 tp -85.43 109.26 18.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.044 0.45 . . . . 0.0 110.3 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.6 t -114.0 125.22 71.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 27.9 m -108.31 101.09 10.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.35 98.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.4 m -99.0 17.58 19.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.689 -171.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -178.93 -168.74 38.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 20.0 m -106.95 17.29 23.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.309 0.575 . . . . 0.0 110.167 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -79.39 153.33 76.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.491 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.47 103.38 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.464 2.11 . . . . 0.0 110.852 173.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.98 113.72 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -175.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.22 112.94 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.92 120.17 58.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.554 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.02 122.08 28.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.501 HD23 HD13 ' A' ' 50' ' ' LEU . 35.5 tp -88.03 100.7 13.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.472 0.653 . . . . 0.0 109.923 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.424 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -165.07 174.85 9.96 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.611 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.556 ' HG2' HD21 ' A' ' 85' ' ' ASN . 89.7 mtt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.991 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -154.26 150.7 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.762 -0.258 . . . . 0.0 110.583 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m 68.3 -63.26 0.34 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.474 0.71 . . . . 0.0 111.782 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -85.12 130.67 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.233 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -161.67 148.1 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 -172.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -144.05 51.13 1.31 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -72.64 74.36 1.08 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.555 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -143.5 15.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.731 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -99.66 -19.66 16.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.195 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 m -82.97 80.1 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.447 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m 65.0 98.83 0.04 OUTLIER 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.83 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.02 -175.34 50.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.756 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.22 82.65 5.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t 64.34 92.53 0.06 OUTLIER Pre-proline 0 C--O 1.234 0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.649 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.99 132.01 42.43 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.683 2.255 . . . . 0.0 111.552 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -64.39 108.26 1.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.332 0.587 . . . . 0.0 110.681 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.36 -27.27 1.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -87.37 140.53 29.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -139.8 99.98 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.828 0.347 . . . . 0.0 110.359 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -90.31 151.71 21.36 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.6 111.61 0.36 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.965 0.791 . . . . 0.0 112.061 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 p -86.04 -12.11 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.858 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -105.53 108.49 61.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.307 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.28 128.88 9.98 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.223 1.949 . . . . 0.0 111.477 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.69 151.42 19.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' HB1' ' A' ' 78' ' ' ALA . 9.6 m-20 -125.89 -155.84 0.7 Allowed 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt 54.28 96.34 0.04 OUTLIER Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.391 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 71.6 Cg_endo -85.21 120.97 2.26 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.781 2.321 . . . . 0.0 112.466 175.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -79.62 -41.05 27.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 95.0 m-85 -64.15 -54.07 42.52 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 97.6 Cg_endo -78.99 13.2 2.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.8 1.667 . . . . 0.0 113.699 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.17 63.34 4.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 111.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -96.36 1.46 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.561 165.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.23 -49.03 60.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.435 -166.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -61.76 -36.44 81.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.117 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.77 64.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.296 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.97 10.05 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 111.248 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.4 m -93.6 116.12 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.23 162.87 15.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.353 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -97.35 -14.43 21.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.549 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.34 112.5 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.571 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -164.12 169.43 38.98 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.388 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.62 13.86 4.49 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.33 123.1 10.06 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.923 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.31 111.2 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 62.9 mt -101.93 116.28 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -103.01 99.09 8.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -107.54 129.05 9.47 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.528 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.5 117.99 35.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.5 tp -92.14 129.23 38.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 38.1 p90 -170.65 114.53 0.45 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.893 172.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 135' ' ' LEU . 65.4 mt -102.18 128.18 48.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.566 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 59' ' ' ILE . 10.9 p -82.47 100.25 9.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.532 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -65.05 162.89 15.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.704 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.59 64.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.593 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.59 -20.15 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.88 20.72 72.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.616 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.02 36.97 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.853 -0.204 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.479 HG12 HG22 ' A' ' 53' ' ' THR . 60.1 mt 66.82 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.483 0.658 . . . . 0.0 111.735 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -93.68 123.16 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.433 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 6.1 mmtt -85.59 -18.25 33.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.675 -168.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.42 84.63 0.61 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.188 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -94.23 114.09 26.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.7 0.286 . . . . 0.0 110.658 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' A' ' 113' ' ' THR . 26.1 t-20 58.78 75.92 0.37 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.68 0.752 . . . . 0.0 109.855 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -130.42 144.59 51.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.099 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -85.24 121.74 28.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 111.52 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.06 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.19 146.63 25.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.857 0.361 . . . . 0.0 110.81 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 tt -126.74 122.42 34.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.6 pt-20 -134.97 150.95 74.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.79 147.15 39.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.218 2.612 . . . . 0.0 113.237 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.79 100.25 1.87 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.589 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -112.0 136.31 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.509 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.2 t -62.72 -23.89 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.197 0.522 . . . . 0.0 110.397 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 85.2 t80 -60.47 -27.62 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.989 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.3 mtp -108.42 11.81 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.97 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.081 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' HB1' ' OD1' ' A' ' 26' ' ' ASP . . . -72.44 -25.91 61.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -77.06 -42.0 40.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 153' ' ' THR . 7.1 m-85 -77.37 -10.41 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.205 -177.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.76 76.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.539 0.685 . . . . 0.0 109.277 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -84.92 -61.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.267 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 8.96 43.26 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.441 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.95 2.65 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.876 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.98 79.76 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.847 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 8.4 tt -102.22 107.94 19.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.411 0.624 . . . . 0.0 110.815 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.22 155.02 39.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.38 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.1 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.712 0.291 . . . . 0.0 111.054 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.26 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.847 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 49.0 pttt -115.73 29.35 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 86' ' ' LEU . 4.0 mmm180 -71.79 105.12 3.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.858 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.46 113.92 60.11 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.044 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.24 -3.99 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.872 2.382 . . . . 0.0 112.918 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -102.65 -48.93 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.663 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.74 114.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 mm100 -92.98 143.37 26.71 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.644 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 42.3 Cg_exo -57.76 134.0 59.95 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.792 2.328 . . . . 0.0 112.014 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 19.9 Cg_exo -66.0 161.74 38.39 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.32 100.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.376 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.34 170.29 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.72 130.45 92.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.56 -19.53 52.84 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.419 2.746 . . . . 0.0 113.827 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -59.05 -28.62 66.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.639 0.257 . . . . 0.0 111.676 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -65.67 -23.66 66.84 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.023 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.17 64.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 0.0 110.487 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -94.13 -27.75 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.726 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -93.07 -36.8 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 70' ' ' GLU . 58.0 t -73.97 101.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.346 0.593 . . . . 0.0 110.188 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -90.2 124.56 34.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.597 -178.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.74 128.91 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.348 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.11 137.86 48.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -102.48 111.67 24.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.717 0.294 . . . . 0.0 110.693 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 39.4 p -71.74 151.0 43.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.238 177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.35 -148.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -51.56 -35.31 40.45 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.385 0.428 . . . . 0.0 112.073 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -65.54 -25.08 67.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.293 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.494 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 58.39 39.2 92.5 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.49 147.64 45.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.434 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 46.4 p90 -137.04 150.78 48.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 110.419 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.92 129.51 32.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.291 0.567 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 124' ' ' ILE . 63.5 m-85 -116.5 150.0 38.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.149 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.41 174.47 14.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 71.2 m-70 59.81 42.11 17.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.554 0.692 . . . . 0.0 110.603 -174.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' A' ' 121' ' ' PHE . 57.2 mt -110.19 121.64 41.06 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.951 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 18.0 Cg_endo -61.97 146.56 96.26 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.369 2.046 . . . . 0.0 111.61 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.77 116.88 4.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.823 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.73 -177.84 48.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.937 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 65.4 m -101.61 126.19 48.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 81.5 m-85 -130.4 165.98 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.987 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -114.3 135.82 53.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.896 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 153' ' ' THR . 51.9 mt -98.88 110.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -107.77 116.73 32.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.179 0.514 . . . . 0.0 110.847 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.1 t -136.96 132.65 34.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.83 92.69 5.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.651 0.738 . . . . 0.0 110.594 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 52' ' ' LEU . 55.8 tp -114.42 108.17 16.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.93 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -125.95 151.27 47.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.434 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 37.7 p90 -146.08 152.96 40.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.406 ' HB2' HG22 ' A' ' 145' ' ' THR . 13.0 p -102.69 108.6 19.92 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.88 133.83 54.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 87.1 mt-30 -81.44 104.89 12.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -95.93 113.3 24.91 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 65.04 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.83 0.706 . . . . 0.0 110.947 -176.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.76 4.16 2.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.444 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -121.02 123.56 42.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.013 0.435 . . . . 0.0 110.966 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 24.9 m -76.9 108.42 9.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.131 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 pt -105.99 157.52 6.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.691 0.281 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.5 m -105.55 113.17 26.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 38.8 mt-10 -109.94 177.06 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.155 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 98.23 -136.94 12.99 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.175 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.95 -145.94 17.61 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.596 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.4 m -109.17 102.79 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.165 0.507 . . . . 0.0 109.666 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.35 130.01 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.766 HG21 ' HE2' ' A' ' 80' ' ' TYR . 8.1 m -120.28 120.15 35.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.69 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -110.39 143.15 41.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -91.1 104.25 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.186 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.47 106.38 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.317 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 5.0 t -99.09 96.32 7.71 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.828 0.823 . . . . 0.0 110.347 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.08 86.35 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.931 -177.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -91.89 19.12 6.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.637 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -164.56 148.24 14.04 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.045 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 29.5 m -84.82 59.37 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.852 0.834 . . . . 0.0 109.946 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -117.27 162.35 28.55 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.864 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.89 102.29 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.281 1.987 . . . . 0.0 110.469 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.97 117.43 30.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.343 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.66 111.49 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.025 0.44 . . . . 0.0 109.946 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.519 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.7 t -119.31 107.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.385 -177.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.32 111.03 12.55 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 32.0 tp -79.75 87.9 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.774 0.797 . . . . 0.0 109.809 -178.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 13.0 t -157.48 178.77 9.92 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.007 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.249 -176.512 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -93.63 -6.39 46.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.679 0.276 . . . . 0.0 110.678 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -59.16 102.01 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.997 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -91.7 -20.95 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.801 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.73 60.67 2.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.344 0.592 . . . . 0.0 109.45 171.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -158.72 64.12 0.42 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -114.09 90.37 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.984 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -99.21 135.45 40.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.878 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -75.22 178.36 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 m -58.35 137.88 56.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.682 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.0 p -73.67 91.09 1.85 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.244 0.545 . . . . 0.0 110.397 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.0 -151.32 10.04 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.097 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -106.31 111.75 24.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.784 0.326 . . . . 0.0 110.249 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 m -116.84 98.49 51.97 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.178 0.513 . . . . 0.0 111.285 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' SER . 22.5 Cg_exo -65.58 130.96 26.33 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.507 2.138 . . . . 0.0 110.999 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HD2' ' N ' ' A' ' 16' ' ' ARG . 7.5 mpt_? -73.33 132.58 43.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.322 -174.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.38 -70.11 1.72 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 15' ' ' PRO . 17.2 t -166.51 -174.04 2.69 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -84.84 -161.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.212 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.2 -34.89 70.86 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.043 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.63 -63.42 0.33 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.892 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -165.16 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.1 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 7.2 p30 -147.83 123.53 5.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.492 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 3.0 Cg_exo -75.99 86.59 1.5 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.849 2.366 . . . . 0.0 112.455 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 8.9 t30 -89.24 -25.32 21.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.77 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.94 68.26 3.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.705 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.55 81.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.473 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HB3' ' HB2' ' A' ' 24' ' ' PRO . 90.0 Cg_endo -85.05 177.08 5.53 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.608 2.205 . . . . 0.0 111.534 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 36.4 t70 -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 36.7 m-85 109.17 -30.72 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.251 1.42 . . . . 0.0 114.795 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.58 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 20.0 Cg_exo -67.73 9.22 0.36 Allowed 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 121.843 1.694 . . . . 0.0 113.435 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -82.29 3.66 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -53.22 -37.13 61.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.255 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.56 -29.17 63.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.194 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -66.01 -26.8 67.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.289 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.44 5.07 51.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.791 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.2 18.98 10.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.025 0.44 . . . . 0.0 111.199 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -96.58 91.28 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -121.7 -167.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.992 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 44.6 mt-30 82.06 113.9 0.06 Allowed 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.861 0.864 . . . . 0.0 111.918 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -87.36 103.29 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.35 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -91.27 170.66 34.45 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.406 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 24.33 13.08 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.545 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.819 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -64.93 113.31 5.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.742 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.81 98.77 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.23 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 49.4 mt -99.52 93.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.012 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.581 ' H ' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -102.79 140.96 36.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.23 157.04 27.03 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.503 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.04 119.14 34.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 27.2 tp -94.59 129.01 41.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.592 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 34.1 p90 -169.84 130.6 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 135' ' ' LEU . 96.4 mt -118.47 141.23 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.007 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 p -89.8 134.47 34.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 91.1 p -88.22 -179.19 6.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.751 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -28.48 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -77.69 -30.21 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.942 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.56 30.96 3.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.853 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.23 140.18 32.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.17 108.91 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.176 0.512 . . . . 0.0 110.594 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 14.3 mm100 -89.47 106.36 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.779 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.638 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 14.8 mmtt -76.98 -12.05 59.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.094 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.93 83.9 0.37 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.277 -0.963 . . . . 0.0 111.515 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -83.56 105.16 14.26 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 113' ' ' THR . 15.0 t-20 59.11 72.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.524 0.678 . . . . 0.0 109.823 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.6 m -128.61 138.52 52.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.533 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -74.97 111.89 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.015 0.436 . . . . 0.0 111.86 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.72 116.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.484 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.38 134.23 47.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.733 0.301 . . . . 0.0 111.157 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -115.68 118.75 33.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.16 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -126.41 151.5 72.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 8.3 Cg_exo -72.61 146.96 44.72 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.373 2.715 . . . . 0.0 113.112 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.78 109.33 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -123.19 155.61 36.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.523 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 57.3 p -77.69 -9.54 59.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.289 0.566 . . . . 0.0 110.354 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' HB2' ' HB2' ' A' ' 31' ' ' PRO . 61.5 t80 -67.92 -35.81 79.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.7 mtp -91.61 17.35 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.343 -173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 74' ' ' SER . 49.8 mtmt -58.2 -43.47 87.64 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -69.6 -44.22 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.95 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.8 -39.09 83.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.712 ' HE1' HG21 ' A' ' 153' ' ' THR . 52.2 t80 -74.89 -23.72 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.53 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 73.8 mmtt -68.84 -56.32 8.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -122.05 -84.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.316 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.22 -128.62 42.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.188 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 151' ' ' THR . 41.0 t-20 -82.46 103.21 11.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.5 tt -138.38 127.15 23.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -170.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.463 ' CB ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 t70 -57.7 146.7 30.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.824 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.15 -24.21 67.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.67 0.271 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.05 -22.64 60.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.306 0.575 . . . . 0.0 110.506 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 87' ' ' ASP . 41.0 mtmt -100.37 7.81 44.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.699 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -73.69 107.41 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.207 -178.444 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -98.73 110.08 55.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.477 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -88.39 8.38 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.718 2.279 . . . . 0.0 112.9 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -91.71 -43.88 9.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.0 118.22 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.815 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -89.78 126.76 56.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.345 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 31.8 Cg_exo -58.56 128.37 28.06 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 111.477 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 40.8 Cg_exo -56.55 138.96 86.57 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.692 2.261 . . . . 0.0 112.149 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.33 112.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.328 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.424 HD22 ' CE2' ' A' ' 75' ' ' TYR . 56.7 mt -85.25 176.56 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.04 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 15.9 t70 -57.17 124.37 65.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.17 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 39.7 Cg_exo -58.07 -16.94 29.21 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.524 2.816 . . . . 0.0 114.314 -171.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -65.0 -20.07 66.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.0 ptm85 -63.54 -26.01 68.51 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.599 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.58 -16.32 64.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.965 0.412 . . . . 0.0 110.983 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -97.11 -34.79 11.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.77 -35.53 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.715 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 70' ' ' GLU . 86.0 t -71.17 118.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 109' ' ' ARG . 22.9 mtp180 -99.99 141.48 32.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.499 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -101.92 147.7 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.43 102.59 4.66 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.293 170.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 m -82.29 109.76 16.85 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 26.7 p -55.16 140.52 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.53 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -76.63 -171.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -74.32 -3.37 29.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.271 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.99 7.31 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.756 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 61.36 48.06 87.33 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.08 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 119' ' ' PHE . 3.6 tmt_? -136.96 144.12 43.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' ARG . 49.2 p90 -142.87 156.63 44.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 47' ' ' ASN . 4.9 p-10 -145.85 140.92 27.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.278 0.561 . . . . 0.0 110.753 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.515 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 95.7 m-85 -113.26 158.28 20.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.299 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.72 171.46 20.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.5 m170 62.5 45.51 6.28 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.528 . . . . 0.0 110.758 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 69.4 mt -129.13 138.25 32.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.229 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.559 ' HG3' ' O ' ' A' ' 40' ' ' GLN . 7.0 Cg_exo -72.57 -176.75 2.41 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.779 2.319 . . . . 0.0 112.441 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.78 155.83 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.01 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.75 -158.61 26.23 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.583 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 m -104.65 124.62 49.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.2 161.74 33.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -116.74 134.04 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 153' ' ' THR . 38.2 mt -100.39 113.69 36.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.9 m -111.2 114.43 27.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.693 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.3 m -131.41 129.24 41.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -93.62 100.33 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.277 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.43 HD23 HD12 ' A' ' 52' ' ' LEU . 46.9 tp -116.53 90.63 3.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.476 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 88' ' ' ALA . 45.2 p -115.47 138.8 50.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.507 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.4 p90 -141.53 150.48 42.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.986 0.422 . . . . 0.0 110.208 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.3 m -107.7 120.09 41.26 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 51.1 mt-30 -81.73 99.75 9.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.162 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 103.58 16.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 65.49 -77.68 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.938 0.774 . . . . 0.0 111.419 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -140.68 5.37 2.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.415 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -123.95 120.35 32.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.761 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 15.5 m -79.24 128.48 33.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.492 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 26.6 pt -119.39 141.58 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.177 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.2 m -94.38 104.23 16.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 40.4 mt-10 -101.38 165.47 11.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.547 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.31 -152.38 21.56 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.258 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 151.93 -155.35 26.09 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.199 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 10.7 m -96.94 105.31 17.43 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.07 121.1 45.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.768 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.712 HG21 ' HE1' ' A' ' 80' ' ' TYR . 13.9 m -109.74 119.79 40.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.81 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -110.67 130.03 55.67 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.99 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.7 tp -80.36 116.47 20.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 94.2 t -116.89 124.57 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.282 0.563 . . . . 0.0 111.2 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.3 t -105.59 121.83 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.954 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.28 104.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.8 t -70.21 -27.84 64.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.1 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.84 -158.35 31.13 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.338 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.819 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.5 p -73.88 -24.0 59.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.531 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -60.99 146.14 88.11 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.36 117.24 3.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.541 2.827 . . . . 0.0 113.639 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -103.67 110.71 22.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.6 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 63.1 tttp -96.06 116.86 29.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 0.0 110.061 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.97 116.04 48.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.654 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.32 112.84 16.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 50' ' ' LEU . 28.3 tp -81.39 93.49 6.61 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.622 0.725 . . . . 0.0 109.991 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 12.1 t -159.19 179.0 9.4 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.545 -1.207 . . . . 0.0 107.859 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 14.5 tpt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.139 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -60.04 103.62 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.588 0.232 . . . . 0.0 111.323 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p 61.02 159.33 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.781 1.232 . . . . 0.0 112.595 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -97.82 95.52 7.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -110.28 115.17 29.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.527 0.679 . . . . 0.0 112.108 -170.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.07 114.91 16.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -68.6 -30.26 68.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.145 -171.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -139.74 172.67 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.794 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -73.79 92.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.879 ' HA ' HD11 ' A' ' 13' ' ' LEU . 50.2 m -149.57 174.38 12.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.716 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 p 53.14 28.29 6.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.409 0.684 . . . . 0.0 111.93 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 39.69 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.879 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.6 mp -89.63 66.9 7.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t 65.43 97.03 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.725 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.62 -20.55 46.87 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.791 2.327 . . . . 0.0 113.043 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -136.09 117.53 14.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.786 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.1 -68.09 0.22 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.418 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m -66.1 134.51 52.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.66 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -81.06 57.89 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.55 -21.08 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.442 . . . . 0.0 110.436 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 26.52 9.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.603 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.4 m -133.32 95.49 3.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.164 0.506 . . . . 0.0 110.438 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 p-10 -166.56 166.12 9.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.795 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 23' ' ' ASN . 19.5 Cg_endo -60.52 99.12 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 121.969 1.779 . . . . 0.0 110.662 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -104.42 80.24 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.748 -171.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.1 m-20 67.07 -58.17 0.41 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 168.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 6.3 mp 76.57 144.21 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 124.177 0.991 . . . . 0.0 108.439 -160.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 9.8 Cg_endo -51.5 144.07 33.57 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.566 . . . . 0.0 112.356 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.6 84.9 0.87 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 28' ' ' PRO . 85.2 m-85 -133.06 91.96 26.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.434 173.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -65.27 166.28 19.62 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.383 2.056 . . . . 0.0 110.805 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 66.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.4 m80 -95.78 -10.37 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.818 167.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -96.16 -30.11 13.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.551 -163.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.598 ' OH ' ' HG2' ' A' ' 76' ' ' MET . 54.7 m-85 -91.27 -48.58 6.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.157 -0.34 . . . . 0.0 110.974 -174.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.88 57.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.54 10.42 38.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 p -75.56 158.87 31.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 10.4 mm-40 -100.45 154.43 18.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.62 16.83 19.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.115 0.484 . . . . 0.0 110.679 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.1 107.39 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.85 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.41 128.16 1.87 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.971 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.31 16.89 3.37 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.143 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -74.57 143.52 31.58 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.818 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.73 115.74 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.869 0.366 . . . . 0.0 110.255 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 70.5 mt -106.46 119.57 56.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 11.7 t-20 -121.59 118.96 30.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -132.5 149.57 19.51 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.983 -171.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.36 120.94 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.807 -0.697 . . . . 0.0 109.163 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 26.0 tp -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 26.2 p90 -164.51 125.2 2.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.285 0.564 . . . . 0.0 110.38 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -108.46 135.66 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.303 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.27 114.99 20.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.854 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.411 ' HB3' ' OE2' ' A' ' 148' ' ' GLU . 1.2 m -65.0 155.8 33.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.93 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.34 68.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.25 -1.75 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.9 35.72 85.21 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 121.367 -0.444 . . . . 0.0 113.482 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -87.27 -38.99 15.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.689 -0.301 . . . . 0.0 111.146 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 85.0 mt 69.8 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.749 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -131.26 133.58 45.58 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 32.7 mmtp -66.05 -70.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.75 102.71 1.66 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.399 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.6 p -115.61 142.44 46.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t30 64.53 21.86 12.54 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.093 0.949 . . . . 0.0 109.407 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.3 m -92.84 132.88 36.61 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.311 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -83.8 114.87 21.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.183 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.517 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 87.0 t -100.95 118.53 47.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.781 174.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.16 128.37 51.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.978 0.418 . . . . 0.0 110.633 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 tp -107.48 97.37 7.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.932 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -102.82 136.58 19.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.65 142.35 52.87 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.269 1.979 . . . . 0.0 111.697 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.82 101.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.089 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 p -122.86 152.69 40.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.201 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 m -72.09 -27.95 62.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.98 -34.92 71.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.984 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.598 ' HG2' ' OH ' ' A' ' 35' ' ' TYR . 91.3 mmm -84.53 -11.15 56.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.03 -36.46 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.26 61.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.021 0.438 . . . . 0.0 111.419 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -74.8 -27.27 60.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.057 0.456 . . . . 0.0 110.01 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -65.41 -30.19 70.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.43 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.75 -27.65 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.706 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 16.2 mtpp -75.32 -38.55 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.67 -79.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.858 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.94 -121.64 27.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.403 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.674 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.4 p30 -92.99 92.92 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.781 0.8 . . . . 0.0 109.645 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 87' ' ' ASP . 8.3 tt -123.22 121.18 35.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.528 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.633 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 m-20 -58.96 141.58 53.36 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.897 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.41 -27.59 37.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 -9.32 59.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.853 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 58.1 mttp -100.02 -4.95 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.271 . . . . 0.0 110.526 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 91' ' ' ARG . 13.6 ttp180 -69.13 114.5 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 27.7 t70 -112.79 124.43 31.77 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.7 Cg_exo -76.83 -5.46 15.97 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.97 2.447 . . . . 0.0 113.446 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.515 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 26.8 t70 -88.26 -31.13 19.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.438 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' NZ ' ' A' ' 82' ' ' LYS . 16.9 t -77.2 75.9 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 109.644 175.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 47.8 mt-30 -55.41 135.8 69.84 Favored Pre-proline 0 C--O 1.236 0.361 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.798 -173.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.706 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 55.6 Cg_endo -94.95 126.66 0.41 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.7 2.933 . . . . 0.0 111.968 171.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 7.1 Cg_exo -73.79 151.11 45.55 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 111.792 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.63 126.73 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.056 0.455 . . . . 0.0 109.877 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.9 mt -104.48 179.47 4.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 7.7 t70 -52.0 136.75 37.41 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.243 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.57 -25.34 6.73 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.041 2.494 . . . . 0.0 113.72 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -70.22 -21.82 62.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.992 0.425 . . . . 0.0 110.803 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 101' ' ' ASP . 23.0 mtp-105 -47.93 -46.25 31.89 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.16 -5.58 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.754 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -92.61 -35.56 13.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 0.0 110.069 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -88.7 -33.57 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.007 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' ARG . 58.3 t -76.92 107.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.726 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -73.82 130.6 40.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.13 113.17 26.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -115.19 127.44 55.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.708 0.29 . . . . 0.0 110.878 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.5 m -86.87 121.3 29.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.195 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.8 p -68.25 141.24 55.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 111.449 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.53 -167.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.77 0.795 . . . . 0.0 111.106 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -71.37 -27.75 63.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.948 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -89.77 3.87 51.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.01 52.01 9.57 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.685 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.544 ' HB2' HH11 ' A' ' 118' ' ' ARG . 0.5 OUTLIER -130.53 147.84 52.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 38.6 p90 -129.08 139.19 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.082 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.48 126.2 54.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.495 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 17.8 m-85 -125.96 138.59 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 0.0 111.406 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -139.08 165.92 25.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.686 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.26 37.26 23.73 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.419 0.45 . . . . 0.0 111.722 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 158' ' ' VAL . 45.9 mm -84.98 121.84 74.22 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.164 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 124' ' ' ILE . 13.9 Cg_exo -70.08 168.97 20.45 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.881 2.387 . . . . 0.0 112.112 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -79.2 116.97 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.65 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.57 -170.98 39.92 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 11.9 t -113.84 138.71 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.049 0.452 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -132.87 164.06 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -113.17 126.2 55.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.852 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 153' ' ' THR . 57.2 mt -94.14 104.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.1 p -108.2 130.09 55.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.117 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 4.7 p -151.59 146.49 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.659 0.266 . . . . 0.0 111.368 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.562 ' HG2' HG22 ' A' ' 151' ' ' THR . 46.5 mt-10 -102.02 103.85 14.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.557 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.512 ' HG ' ' HZ3' ' A' ' 137' ' ' TRP . 37.8 tp -120.13 111.03 17.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.9 p -141.04 130.68 24.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -174.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.512 ' HZ3' ' HG ' ' A' ' 135' ' ' LEU . 44.5 p90 -139.99 151.56 45.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 p -94.54 128.66 41.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.025 0.44 . . . . 0.0 111.143 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.92 159.56 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -107.93 113.74 27.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.672 0.272 . . . . 0.0 110.427 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.1 t -87.62 -76.05 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.281 0.562 . . . . 0.0 110.443 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.17 63.84 1.41 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.088 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 76.48 -8.37 27.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.595 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -105.87 130.13 53.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 19.9 m -84.09 111.44 19.32 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.0 pt -98.97 153.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.281 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 13.6 m -99.32 99.9 10.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 54' ' ' SER . 6.5 mm-40 -81.45 108.52 15.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.043 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 133.15 -164.35 24.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.35 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.66 -157.98 29.18 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.7 p -91.0 112.45 24.36 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.15 132.91 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 6.8 p -120.44 116.4 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.741 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -109.67 121.36 45.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.964 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 66.3 tp -80.27 112.92 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.026 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.6 t -121.11 123.98 71.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 25.0 m -107.59 119.54 39.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.214 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 124' ' ' ILE . 42.7 t -97.25 123.12 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 4.07 50.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.519 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 159.92 -149.83 19.67 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.016 -1.087 . . . . 0.0 113.012 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.516 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.2 m -91.64 9.68 31.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.081 0.467 . . . . 0.0 110.999 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 163' ' ' PRO . 2.3 mp0 -78.82 138.01 57.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.278 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 162' ' ' GLN . 21.0 Cg_exo -64.93 124.23 12.79 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.705 2.27 . . . . 0.0 112.039 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.6 120.18 37.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.106 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 82.4 tttt -92.46 120.44 32.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.95 130.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.825 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.3 111.9 20.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 22.2 tp -82.14 90.08 6.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.99 0.9 . . . . 0.0 110.051 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 -178.09 5.99 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.437 ' HD2' ' OXT' ' A' ' 170' ' ' ARG . 6.0 ppt_? . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.91 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -168.62 104.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t -96.0 -71.22 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.1 m80 53.56 41.74 32.04 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -49.71 -37.93 31.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.865 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -106.62 95.01 5.44 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -65.44 130.91 45.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.031 -172.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -103.43 0.44 31.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.292 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -80.54 94.89 6.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -92.02 -12.67 32.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.619 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 t -150.96 162.68 40.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.28 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.32 23.79 32.12 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.927 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt 71.22 -66.53 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.633 0.773 . . . . 0.0 111.361 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t 62.78 92.59 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 CA-C-O 121.251 0.548 . . . . 0.0 110.829 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.56 -7.6 21.13 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.264 2.643 . . . . 0.0 112.943 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -136.5 108.46 7.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 0.0 110.586 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.31 136.78 16.67 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.129 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.5 t -89.33 141.63 28.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -77.02 104.31 7.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -90.1 151.97 21.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.37 32.28 2.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.512 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m 71.29 149.14 0.09 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.501 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -133.19 115.21 13.92 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.073 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.08 118.94 5.86 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.578 2.185 . . . . 0.0 112.264 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -90.65 165.51 13.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.124 0.488 . . . . 0.0 110.528 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -129.79 -43.96 1.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.3 0.571 . . . . 0.0 109.979 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -97.59 125.4 45.03 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.719 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.03 144.15 21.04 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.541 2.16 . . . . 0.0 112.288 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -82.39 93.53 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' ' HD1' ' A' ' 75' ' ' TYR . 64.4 t80 -118.14 134.34 23.36 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.211 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 7.7 Cg_endo -50.69 135.67 41.86 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.581 2.854 . . . . 0.0 113.042 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -77.47 32.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.653 -174.627 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.95 -16.31 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.637 0.256 . . . . 0.0 111.55 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.15 20.22 18.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.881 0.372 . . . . 0.0 111.086 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 28.9 3.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.397 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -105.69 23.35 14.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.813 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 125' ' ' PRO . 45.5 mt-30 61.34 -163.79 0.25 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.19 -63.42 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.45 99.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.218 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -101.78 174.94 24.97 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.254 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.65 8.97 0.88 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.22 150.38 23.69 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.477 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -118.58 118.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.87 112.25 28.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.683 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -102.36 99.01 9.05 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -110.03 121.59 6.05 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.161 -173.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 17.2 m-20 -104.07 120.97 42.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 40.4 tp -102.01 130.61 48.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.894 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 30.7 p90 -166.45 125.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 135' ' ' LEU . 91.4 mt -112.27 136.2 52.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -84.31 118.34 24.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.685 175.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -65.01 155.96 32.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.147 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.37 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.187 0.518 . . . . 0.0 110.277 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -77.24 -10.87 59.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.263 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.09 64.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.746 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -141.47 147.43 37.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 99.1 mt -104.89 101.89 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.424 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 84.5 mm-40 -103.67 123.27 46.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.452 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 27.8 mmtp -66.49 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.455 0.472 . . . . 0.0 111.63 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 50' ' ' LEU . . . 169.31 79.32 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -95.37 113.25 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 60.92 52.76 4.03 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.725 0.774 . . . . 0.0 109.308 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -110.97 131.02 55.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.077 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 27.4 ttpt -81.12 116.58 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.055 0.455 . . . . 0.0 111.063 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.66 114.85 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.28 113.06 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.385 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.8 tp -98.99 101.94 13.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.158 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 8.2 pt-20 -116.83 148.6 42.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.256 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.6 Cg_exo -72.99 136.79 25.51 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.005 2.47 . . . . 0.0 112.951 -177.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.26 117.84 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 p -135.52 173.38 11.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 m -69.39 -45.4 69.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.929 0.395 . . . . 0.0 110.354 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 30' ' ' PHE . 92.0 t80 -60.54 -37.21 80.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.346 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.472 ' HA ' ' HE2' ' A' ' 76' ' ' MET . 1.5 tpt -76.37 -24.0 54.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.786 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.69 -41.24 90.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.91 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.76 -37.66 59.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.424 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -61.36 -36.45 80.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.42 -20.24 65.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.503 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -84.36 -47.8 10.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.342 . . . . 0.0 111.741 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.78 13.16 18.44 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.79 108.83 2.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.166 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.9 p30 43.27 72.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.804 0.811 . . . . 0.0 111.914 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.8 tt -106.01 128.07 53.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.604 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . 13.9 t70 -62.69 144.03 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.407 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -65.23 -27.09 68.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 111.648 -176.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.18 -6.5 59.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 110.791 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG3' ' HB3' ' A' ' 87' ' ' ASP . 9.4 mtmm -106.21 12.95 29.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 109.656 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HA ' HD21 ' A' ' 86' ' ' LEU . 29.0 tpt85 -73.26 102.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.774 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' OD1' HG23 ' A' ' 95' ' ' VAL . 12.2 t70 -68.78 118.2 58.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.94 -7.56 20.12 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 113.735 -171.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.35 3.36 25.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.639 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' ' 92' ' ' ASP . 48.6 t -104.06 90.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 pm0 -91.84 149.4 38.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.957 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 22.4 Cg_exo -65.24 115.17 3.17 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 111.311 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.7 Cg_exo -62.64 163.78 20.37 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.161 2.574 . . . . 0.0 112.677 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.2 t -74.44 94.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.66 177.28 8.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.16 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' HD2' ' A' ' 103' ' ' ARG . 14.3 t70 -69.03 132.69 90.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.752 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.2 Cg_exo -60.66 -8.84 9.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.653 2.902 . . . . 0.0 114.374 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.501 ' HD2' ' OD1' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -59.84 -27.15 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.96 0.346 . . . . 0.0 110.523 175.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -54.83 -40.96 70.13 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.11 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.19 -10.79 59.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.856 0.36 . . . . 0.0 111.25 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.43 -34.03 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.72 -22.33 12.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -84.28 128.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.838 0.351 . . . . 0.0 110.571 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -99.66 112.53 24.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.164 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.77 114.63 28.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -119.97 167.29 12.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.209 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 96.4 m -115.47 120.49 39.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.7 p -65.04 136.62 56.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.988 0.423 . . . . 0.0 111.3 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.03 172.24 9.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -57.11 -20.09 23.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.199 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -81.24 -3.06 51.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.554 0.216 . . . . 0.0 111.264 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.98 49.85 38.59 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -135.72 140.12 44.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.439 -0.381 . . . . 0.0 111.149 -171.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 43.4 p90 -128.62 137.33 51.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 169.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.93 121.92 22.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.136 -169.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 124' ' ' ILE . 62.6 m-85 -133.73 136.77 44.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 6.2 p-10 -127.82 -177.94 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 171.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.428 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 31.4 m80 65.13 27.55 12.36 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -175.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 121' ' ' PHE . 49.6 mm -93.27 122.06 63.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.238 -171.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HB3' ' HB2' ' A' ' 39' ' ' GLN . 17.3 Cg_exo -67.55 165.91 25.72 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.908 2.405 . . . . 0.0 111.327 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -98.11 115.11 27.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.01 0.433 . . . . 0.0 110.84 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.5 -168.11 38.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.9 p -97.05 130.31 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.73 0.3 . . . . 0.0 110.793 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.77 154.6 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.046 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -105.36 118.07 35.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.03 105.47 17.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 9.6 t -109.47 135.24 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.924 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.9 m -147.13 129.11 15.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.608 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -90.08 91.81 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 109.964 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.615 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 40.1 tp -110.05 109.83 20.52 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.9 p -134.4 129.94 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.239 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.615 ' CZ3' ' HG ' ' A' ' 135' ' ' LEU . 28.2 p90 -136.27 140.52 43.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.966 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 17.9 p -88.26 122.24 31.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.234 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.13 128.64 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.577 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 23.8 pt20 -82.44 106.66 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.337 0.589 . . . . 0.0 110.394 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 p -112.31 115.68 29.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.367 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.6 t70 62.12 26.03 15.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.84 -22.28 38.88 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.195 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -94.81 118.87 32.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.2 m -83.44 116.66 22.62 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.636 -176.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.27 152.92 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.9 m -87.25 93.68 9.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.15 120.94 21.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.076 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.63 -152.59 16.81 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.732 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 150.64 -158.81 27.85 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 25.0 m -92.3 102.53 15.03 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.6 p -90.26 131.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.885 0.374 . . . . 0.0 110.167 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.88 109.58 11.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.056 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -110.09 134.44 52.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.251 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.87 121.37 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.175 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.1 t -123.53 136.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.5 t -111.86 110.69 21.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.641 0.734 . . . . 0.0 110.513 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.35 108.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.369 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.8 m -134.64 36.3 3.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.376 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.16 148.8 19.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.305 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 22.4 p -98.48 16.55 21.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.334 0.588 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.465 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 52.5 mt-30 -123.59 163.28 35.61 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.626 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 96.4 Cg_exo -44.17 109.61 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.238 2.625 . . . . 0.0 113.63 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -95.22 112.87 24.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.561 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.95 103.75 9.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.449 . . . . 0.0 110.294 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.51 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 60.0 t -115.25 119.01 60.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.493 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 90.7 mt -92.07 108.79 20.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 50' ' ' LEU . 39.4 tp -80.53 96.42 6.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 0.0 109.46 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 13.8 t -160.66 145.95 14.56 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.49 ' HE ' ' C ' ' A' ' 170' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -64.56 -39.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 111.012 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -142.1 113.97 8.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -109.29 12.57 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 110.206 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -135.5 153.39 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.493 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -118.13 137.91 52.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -138.6 99.18 3.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.722 0.296 . . . . 0.0 110.867 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -166.56 123.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.208 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -136.24 -20.5 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.417 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -93.5 92.24 7.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -101.62 -13.53 17.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.591 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.48 108.11 0.67 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.368 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.3 mt -91.92 -53.62 4.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.903 0.382 . . . . 0.0 110.336 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -90.39 146.23 34.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.532 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.53 -46.54 26.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.809 2.339 . . . . 0.0 112.168 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -127.64 125.76 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.802 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.82 148.54 33.56 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.6 p -83.44 111.45 19.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.809 0.304 . . . . 0.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -67.16 105.0 1.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.14 82.89 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.579 -169.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.59 157.82 45.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.374 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -137.3 173.49 11.62 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 71.25 114.9 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.468 0 O-C-N 123.797 0.686 . . . . 0.0 110.947 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.31 75.0 4.84 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 67.63 -90.09 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.904 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 t70 179.64 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 91.2 mt -127.3 123.45 23.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.357 173.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 6.5 Cg_exo -72.73 115.96 4.54 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.678 2.252 . . . . 0.0 111.526 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -70.3 -37.54 74.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -172.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -81.86 -39.99 0.96 Allowed Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.629 ' HG2' ' HB2' ' A' ' 28' ' ' PRO . 76.8 Cg_exo -55.04 1.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.839 2.359 . . . . 0.0 115.067 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.52 -11.84 54.63 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.948 -0.47 . . . . 0.0 110.447 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.4 m80 -59.36 -25.25 64.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.008 173.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 20.6 tt0 -73.54 -10.97 60.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.917 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.65 -1.38 18.68 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.53 9.08 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 111.003 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.79 6.76 32.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.351 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -99.03 146.99 25.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.606 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -122.66 155.51 36.24 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -96.54 0.44 50.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.71 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -78.07 94.18 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.293 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -150.84 140.67 8.07 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.05 20.79 35.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.883 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.63 140.98 25.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.404 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.13 111.06 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 124' ' ' ILE . 67.5 mt -93.45 122.2 44.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.747 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 90.7 m-20 -114.47 103.6 11.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -116.25 139.34 15.2 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.309 -172.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -120.99 130.9 53.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 168' ' ' LEU . 50.3 tp -101.57 123.5 45.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.721 -175.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' HB3' ' HD2' ' A' ' 61' ' ' LYS . 28.7 p90 -162.73 116.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.305 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 169' ' ' THR . 83.0 mt -105.7 149.27 26.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 0.0 110.996 -177.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.04 122.29 27.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.929 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -76.76 163.15 27.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.838 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.71 68.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.565 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 p -81.0 -2.97 50.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.441 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.68 32.15 25.19 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.251 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.25 156.33 18.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.52 107.76 23.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.885 0.374 . . . . 0.0 110.437 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -104.84 125.74 51.2 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.5 mmmp? -73.0 -69.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.764 0.316 . . . . 0.0 111.581 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.31 101.2 2.23 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.192 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.4 m -109.89 138.58 46.06 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 61.39 32.24 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -101.72 130.1 48.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -84.84 118.06 24.26 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.263 0.554 . . . . 0.0 111.641 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.01 119.72 42.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.747 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.36 116.42 28.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -99.63 100.89 11.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 108' ' ' VAL . 44.2 mt-10 -114.75 133.52 22.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.353 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 21.7 Cg_endo -61.62 131.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.961 2.441 . . . . 0.0 112.659 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.46 83.59 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.382 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.512 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 58.6 p -92.39 -176.67 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.983 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 p -68.14 -34.54 76.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.547 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.49 -39.1 71.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.494 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 81.1 mmm -74.03 -17.36 60.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.175 -177.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 50.7 tptt -63.46 -42.42 98.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.345 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -73.64 -40.0 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.633 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -64.16 -37.63 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -66.62 -34.19 77.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.742 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.07 63.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 47.9 mtpt -84.85 -22.79 29.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.12 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -130.27 -82.54 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.242 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.56 -139.75 21.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.374 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.505 ' HB3' ' H ' ' A' ' 153' ' ' THR . 7.6 p30 -97.0 120.0 36.52 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -142.77 125.0 15.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 111.782 -171.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.41 146.19 49.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.542 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.32 64.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.667 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.28 -23.3 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 111.224 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -120.42 33.09 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.37 0.605 . . . . 0.0 110.457 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 86' ' ' LEU . 22.8 tpp85 -69.64 106.64 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.273 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.6 t70 -74.84 119.5 77.09 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 -177.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 86.7 Cg_endo -96.61 12.88 1.06 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.256 2.637 . . . . 0.0 112.325 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.43 -48.86 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 105.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.938 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 29.7 pt20 -85.55 136.35 37.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.034 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 6.5 Cg_exo -74.04 119.35 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.795 2.33 . . . . 0.0 111.506 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 22.4 Cg_exo -66.48 155.3 70.81 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.958 2.439 . . . . 0.0 112.266 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -70.05 105.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.762 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -87.1 169.2 12.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.292 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 12.9 t70 -62.02 135.86 94.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.373 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 46.2 Cg_exo -58.36 -13.69 17.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.758 2.972 . . . . 0.0 114.265 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 21.5 mmt85 -55.59 -26.42 43.72 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 111.181 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -58.52 -34.37 70.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.589 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -19.59 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 111.212 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.65 -38.13 10.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 46.6 m-85 -85.84 -32.47 21.71 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 70' ' ' GLU . 84.5 t -74.94 106.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.577 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -94.32 129.16 41.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.96 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.79 124.57 51.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -111.23 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.397 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.5 m -93.18 119.48 32.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.391 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.528 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 67.3 p -64.18 127.54 31.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -78.52 -95.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -97.79 -68.0 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.691 -171.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.09 6.38 16.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.375 . . . . 0.0 111.005 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.528 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 82.8 54.73 3.15 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.435 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -137.28 152.33 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -155.53 164.99 37.93 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.322 0.389 . . . . 0.0 110.264 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.24 158.5 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.699 0.285 . . . . 0.0 110.78 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -140.86 140.24 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.051 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -110.96 165.35 11.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.6 m80 63.01 70.72 0.54 Allowed 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.59 0.556 . . . . 0.0 111.178 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 50.2 mm -121.95 108.39 34.68 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.818 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.493 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 16.3 Cg_endo -61.06 137.48 71.97 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.168 1.912 . . . . 0.0 110.845 173.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -66.22 131.05 45.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.791 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.54 -163.57 36.28 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.713 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.5 p -104.23 132.99 49.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 111.084 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 95.7 m-85 -135.69 151.43 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.79 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.405 ' CE1' HD13 ' A' ' 155' ' ' LEU . 22.2 m-85 -101.97 110.73 22.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 156' ' ' VAL . 20.1 mt -94.35 107.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -115.06 136.37 53.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.113 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.0 m -138.56 139.79 38.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.462 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.04 91.65 8.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.485 . . . . 0.0 109.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.4 tp -125.65 96.55 4.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.562 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.411 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.4 t -131.34 142.98 50.17 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.704 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.403 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 44.2 p90 -138.24 155.35 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.224 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -108.25 146.07 33.39 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.824 0.345 . . . . 0.0 110.636 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.11 51.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.108 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -92.19 102.44 14.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.931 0.396 . . . . 0.0 110.4 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -107.6 127.71 53.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.675 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.16 -78.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.744 0.653 . . . . 0.0 111.154 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.94 19.87 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -133.71 159.57 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.3 m -93.55 113.39 25.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.808 0.337 . . . . 0.0 110.164 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.8 pt -98.18 162.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.503 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.9 m -113.57 123.83 50.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.403 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 54.1 mt-10 -118.24 119.96 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.884 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.84 179.28 24.46 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.121 -1.038 . . . . 0.0 112.579 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 165.8 -133.21 2.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 p -84.14 102.81 12.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.029 0.443 . . . . 0.0 110.222 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.66 97.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.75 0.786 . . . . 0.0 109.634 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 8.2 m -101.11 111.47 23.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.07 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -109.67 135.26 50.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.355 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.3 tp -80.27 107.83 13.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.066 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 131' ' ' ILE . 98.9 t -107.28 135.81 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.308 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.3 m -123.89 108.72 12.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.704 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.1 96.68 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -86.64 -29.81 22.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.259 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.57 15.72 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.368 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 6.0 m -82.62 56.51 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.408 0.623 . . . . 0.0 110.432 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.491 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 70.5 mt-30 -135.63 172.65 6.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 53.4 Cg_exo -53.87 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.237 1.958 . . . . 0.0 111.953 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -106.46 104.61 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.65 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 28.9 ttpp -82.16 110.83 17.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.501 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.9 t -105.96 113.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.383 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.92 102.99 15.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.717 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 50' ' ' LEU . 29.0 tp -81.75 94.66 7.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.534 ' HA ' HD23 ' A' ' 52' ' ' LEU . 15.3 t -156.82 172.93 17.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.534 -173.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.569 175.43 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.908 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -88.24 -17.11 31.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -92.62 5.53 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.953 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -61.37 117.78 6.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.691 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -125.42 -160.91 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.606 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -80.56 136.82 36.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.941 0.4 . . . . 0.0 110.095 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -77.92 14.34 1.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.97 -174.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 68.98 -72.38 0.1 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.091 0.556 . . . . 0.0 111.478 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -139.3 117.6 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m -122.85 26.82 8.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -95.45 -59.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.939 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.8 118.56 4.77 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.047 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.796 ' H ' HD23 ' A' ' 13' ' ' LEU . 2.0 pt? -91.6 -14.58 29.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.132 0.492 . . . . 0.0 110.22 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.647 HG22 ' H ' ' A' ' 16' ' ' ARG . 7.3 p -104.25 135.6 19.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.73 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.71 -11.07 25.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.664 2.243 . . . . 0.0 113.375 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.647 ' H ' HG22 ' A' ' 14' ' ' VAL . 35.5 ttm180 -73.82 116.67 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.93 2.83 16.23 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.65 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 p -85.18 -57.71 2.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.192 0.52 . . . . 0.0 110.443 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -142.37 148.04 37.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.503 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -98.75 152.42 19.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.381 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 83.18 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.334 0.588 . . . . 0.0 111.009 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -96.4 44.41 1.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.484 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t30 69.24 100.87 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.985 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.27 -166.7 0.43 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.706 2.271 . . . . 0.0 112.212 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -80.47 155.67 26.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.02 -29.65 66.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 0.0 110.622 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.63 156.49 40.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.797 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.49 163.19 35.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.592 2.195 . . . . 0.0 112.652 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.1 82.72 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.9 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 86.2 m-85 -141.77 137.66 16.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.141 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' PHE . 6.9 Cg_exo -73.78 170.77 19.26 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.162 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -79.5 7.52 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -62.99 -22.27 66.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.03 -30.43 71.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.231 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.87 -22.4 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.07 10.93 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.927 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.91 17.76 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.685 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 126.09 27.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.805 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' HB2' ' CB ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -82.27 -175.86 5.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.949 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -135.84 -54.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.204 0.526 . . . . 0.0 111.519 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.22 126.26 39.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.076 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 125' ' ' PRO . . . -174.92 138.58 4.41 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.129 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.99 33.85 5.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.889 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.22 83.86 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.735 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 66.4 t -82.42 110.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.5 mt -111.36 117.7 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -102.29 106.89 17.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.633 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.22 130.86 9.84 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.984 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.0 115.92 29.13 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 168' ' ' LEU . 32.5 tp -94.17 133.64 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.239 -173.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -170.97 124.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.356 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -110.99 150.43 29.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.01 132.82 36.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.643 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 t -81.63 157.22 24.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.716 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 -8.66 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.135 0.493 . . . . 0.0 110.706 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 m -93.4 -0.14 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.43 41.85 19.72 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.424 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.88 152.39 36.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.39 116.63 46.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 111.18 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 9.3 mm100 -94.29 123.26 37.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.963 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mmtt -82.88 -63.47 1.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.042 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.66 95.09 1.07 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.347 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -96.2 110.08 22.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 56.31 70.24 0.66 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.843 0.83 . . . . 0.0 109.367 -173.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -123.92 134.19 53.58 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.517 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -90.49 126.03 35.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.473 0.654 . . . . 0.0 112.59 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 60.4 t -102.42 116.88 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.259 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.2 123.13 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -100.61 99.44 10.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.86 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -108.29 141.7 23.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.009 0.433 . . . . 0.0 111.383 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 38.2 Cg_endo -67.09 131.62 25.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.013 2.475 . . . . 0.0 112.985 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -73.54 112.65 9.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 p -139.01 164.01 30.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.224 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.6 m -67.67 -23.67 65.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.94 0.4 . . . . 0.0 110.315 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.28 -41.41 96.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -80.38 -27.64 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.428 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -52.35 -51.4 59.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.655 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.0 66.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.88 -36.18 56.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.097 0.475 . . . . 0.0 110.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.668 ' HE1' HG21 ' A' ' 153' ' ' THR . 50.9 t80 -67.21 -32.7 73.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.076 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.77 68.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.988 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.33 -64.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -94.79 -93.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.06 -135.02 37.11 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.076 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.0 p-10 -76.14 114.4 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.029 0.442 . . . . 0.0 109.834 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -148.65 132.66 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.307 -173.228 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -62.51 143.45 57.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.409 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.01 -22.12 66.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.717 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.54 -12.87 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.447 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.556 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 48.3 pttt -127.04 20.01 6.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.283 0.563 . . . . 0.0 109.678 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -79.47 93.32 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.656 -178.513 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.45 118.39 61.9 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.165 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.73 -10.71 7.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.619 2.213 . . . . 0.0 112.59 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.78 -43.98 11.47 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -74.12 90.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.376 0.608 . . . . 0.0 109.936 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.05 149.0 49.27 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.17 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 9.9 Cg_endo -53.4 150.59 26.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.375 2.717 . . . . 0.0 112.698 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 9.9 Cg_exo -71.72 -163.49 0.14 Allowed 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 123.069 2.513 . . . . 0.0 112.168 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.5 t -75.57 103.33 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.84 0.353 . . . . 0.0 110.13 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.1 164.0 13.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 17.8 t70 -72.64 127.9 89.19 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.339 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.84 -6.63 11.44 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.792 2.328 . . . . 0.0 112.915 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -83.96 -6.96 59.52 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 110.377 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' ASP . 15.9 mtm105 -57.43 -30.37 64.93 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.081 175.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.48 62.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.9 m -95.23 -39.57 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -79.94 -35.07 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.866 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -77.16 129.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.444 ' NH1' HG12 ' A' ' 124' ' ' ILE . 64.9 mtp180 -90.99 130.45 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.876 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.88 118.7 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.13 116.72 31.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.5 m -94.89 130.35 41.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.486 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.2 p -66.7 124.11 21.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.664 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.02 -60.36 3.43 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.849 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -163.27 -56.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.771 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 17.4 m120 -86.92 31.49 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.675 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.437 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 53.8 57.33 16.52 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.42 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 118' ' ' ARG . 39.8 ttp180 -135.66 150.86 49.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 48' ' ' GLY . 28.2 p90 -145.72 124.21 12.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.268 0.556 . . . . 0.0 109.739 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -111.4 124.03 51.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.953 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.546 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 50.2 m-85 -105.13 144.06 32.44 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.45 150.25 30.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.217 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.8 m80 60.37 67.41 0.85 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.292 0.568 . . . . 0.0 110.716 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.444 HG12 ' NH1' ' A' ' 109' ' ' ARG . 43.2 mt -129.0 125.02 22.71 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.882 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.534 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 20.6 Cg_endo -61.36 133.69 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.307 2.004 . . . . 0.0 111.207 174.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -65.87 146.62 54.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.22 -176.36 35.22 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 5.5 t -96.26 130.84 43.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.052 0.453 . . . . 0.0 110.484 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 97.6 m-85 -140.0 159.44 42.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 155' ' ' LEU . 45.6 m-85 -105.43 126.97 52.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.957 174.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 153' ' ' THR . 64.5 mt -94.2 104.24 15.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 m -114.97 117.41 30.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.001 0.429 . . . . 0.0 110.59 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 13.2 p -134.19 133.34 40.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -100.33 100.88 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.048 0.451 . . . . 0.0 110.069 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 54.0 tp -108.83 102.0 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 p -115.14 138.17 51.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 42.9 p90 -145.66 157.01 44.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.6 m -102.13 132.31 48.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.918 0.39 . . . . 0.0 110.438 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 170.83 10.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.785 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -104.88 122.18 45.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.728 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.6 t -92.57 -88.98 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.601 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -111.68 15.97 20.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.556 0.693 . . . . 0.0 109.608 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 124.61 -18.85 7.15 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -88.46 145.12 25.95 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.9 m -92.91 112.67 24.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.1 pt -106.37 151.08 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.726 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.0 m -96.7 110.56 22.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.164 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.409 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 38.7 mt-10 -97.12 178.14 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 85.13 -134.11 12.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.585 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.31 -158.26 16.99 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 16.5 p -88.93 103.24 15.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.105 0.479 . . . . 0.0 110.218 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.91 123.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.948 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.668 HG21 ' HE1' ' A' ' 80' ' ' TYR . 10.1 m -117.19 128.07 54.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -110.83 119.35 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 130' ' ' TYR . 61.9 tp -80.86 116.9 21.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.32 130.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 3.4 t -118.07 94.59 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.482 0.658 . . . . 0.0 110.252 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 46' ' ' ILE . 64.9 t -80.1 96.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.046 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.3 m -108.32 61.46 0.61 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.554 0.692 . . . . 0.0 109.744 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 173.59 -158.57 27.88 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.369 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 49.7 m -143.91 29.81 1.34 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 111.067 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.61 150.52 37.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.897 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.6 Cg_exo -60.0 105.74 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.449 2.099 . . . . 0.0 111.134 174.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -99.31 111.45 23.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 165' ' ' LYS . 6.5 ttpm? -79.02 117.51 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.632 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.633 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.9 t -125.38 127.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.358 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.923 0.392 . . . . 0.0 110.038 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.497 HD23 HD13 ' A' ' 50' ' ' LEU . 34.7 tp -81.79 85.08 6.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.775 0.798 . . . . 0.0 109.314 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.0 t -137.78 174.08 10.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.666 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.41 HH22 ' CG ' ' A' ' 87' ' ' ASP . 56.9 ttt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.526 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -77.47 76.36 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.091 0.472 . . . . 0.0 111.551 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -161.43 166.62 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.96 119.58 9.71 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -81.44 95.29 7.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.675 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t60 54.34 65.17 1.58 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.653 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.42 ' HB3' ' H ' ' A' ' 8' ' ' HIS . 16.9 m80 -146.64 -161.0 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.89 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.42 ' H ' ' HB3' ' A' ' 7' ' ' HIS . 24.9 m-70 -91.85 146.54 23.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.423 0.63 . . . . 0.0 111.406 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -144.67 73.06 1.36 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -63.82 121.93 15.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.499 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m 68.1 94.08 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.92 0.762 . . . . 0.0 112.071 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.65 81.19 0.36 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.52 155.54 37.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.447 0.165 . . . . 0.0 110.831 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 67.0 t 73.42 117.56 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.19 0 O-C-N 123.981 0.801 . . . . 0.0 110.752 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 14' ' ' VAL . 2.9 Cg_exo -74.98 39.78 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.426 2.751 . . . . 0.0 112.174 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -68.97 112.66 5.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.282 0.563 . . . . 0.0 109.553 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.92 -26.94 5.25 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -171.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 m -98.42 72.72 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -79.55 89.49 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.761 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.6 mtt -60.45 156.32 16.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.67 66.24 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 m -144.17 28.88 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.442 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -83.72 143.01 43.04 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.532 -176.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.14 121.03 9.03 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.836 2.357 . . . . 0.0 112.13 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -122.14 18.01 10.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.066 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -81.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.706 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.66 92.04 19.02 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-O 121.118 0.485 . . . . 0.0 110.109 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.9 -168.89 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.244 2.63 . . . . 0.0 112.712 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t70 -139.03 164.48 29.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 45.3 m-85 105.8 -50.22 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 125.207 1.403 . . . . 0.0 114.125 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.615 ' HD2' ' C ' ' A' ' 29' ' ' ASP . 50.4 Cg_endo -68.52 52.98 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 122.354 2.036 . . . . 0.0 113.445 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.61 -28.48 37.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.289 0.566 . . . . 0.0 110.537 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -72.85 -7.43 50.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.509 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.37 -20.82 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -68.17 -29.81 68.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.28 8.74 38.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.59 -16.62 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.781 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -90.65 -29.78 17.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.536 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 66.93 -164.6 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -122.24 -30.98 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.02 112.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 0.0 110.931 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -157.22 148.78 18.95 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.707 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 37.18 3.74 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.375 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -82.5 137.73 17.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.118 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.14 120.81 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 65.3 mt -116.81 127.81 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.765 0.316 . . . . 0.0 111.021 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.06 107.76 18.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.562 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -113.99 122.47 5.75 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.075 -1.06 . . . . 0.0 113.728 -171.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.46 124.56 48.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 168' ' ' LEU . 30.9 tp -105.28 125.54 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 29.4 p90 -161.03 113.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.464 0.65 . . . . 0.0 110.285 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 HD23 ' A' ' 135' ' ' LEU . 93.1 mt -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.352 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -91.29 132.76 35.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 28.4 p -73.57 161.88 29.86 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.2 -10.3 53.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.656 0.741 . . . . 0.0 109.511 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 t -79.53 -15.15 58.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.359 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.74 32.87 8.24 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.897 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.7 121.99 40.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 110.712 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -89.34 121.8 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 21.3 mm-40 -106.64 125.99 51.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.706 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 27.4 mmtp -76.12 -21.89 56.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 178.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.38 84.57 0.81 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.71 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -99.48 137.24 38.25 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.7 t30 54.65 49.73 17.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.927 0.87 . . . . 0.0 109.439 -173.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -119.91 125.57 48.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.834 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 110' ' ' GLU . 81.8 tttt -94.34 119.04 32.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.196 0.522 . . . . 0.0 110.941 -173.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.29 138.48 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.461 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.61 112.19 22.51 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.44 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 109' ' ' ARG . 53.4 tp -95.97 110.47 22.68 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.769 ' HG2' HG22 ' A' ' 108' ' ' VAL . 36.9 mt-10 -117.52 143.32 31.96 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.052 -172.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 27.3 Cg_exo -64.37 147.65 90.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.792 2.328 . . . . 0.0 111.894 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.08 69.07 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.41 0.624 . . . . 0.0 109.995 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 133.14 47.3 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.645 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 t -52.14 -35.96 49.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 110.953 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.04 -44.81 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mmm -77.12 -18.53 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.684 -175.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.31 -40.97 87.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.21 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.834 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.68 -40.22 96.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.427 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 37.8 m-85 -85.13 3.46 38.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 112.053 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.55 -29.62 46.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 164.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' ' 82' ' ' LYS . 30.5 mmmt -85.1 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.067 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -102.84 22.45 13.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.896 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -75.81 -68.95 1.45 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.971 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -111.18 93.79 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.018 0.437 . . . . 0.0 109.839 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.8 tt -136.83 113.4 10.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.574 -175.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.56 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . 3.4 m-20 -62.92 151.81 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.58 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.99 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.5 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.634 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 91.7 mttt -88.83 -3.3 58.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.463 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -61.9 103.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 95' ' ' VAL . 23.1 t70 -103.64 132.77 20.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.264 -177.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -12.18 32.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.028 2.485 . . . . 0.0 113.555 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -91.65 -17.28 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 110.15 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 92' ' ' ASP . 31.2 t -94.84 93.18 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.05 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 91.7 mt-30 -104.86 135.39 19.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.563 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 8.3 Cg_exo -72.41 121.31 7.36 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.858 2.372 . . . . 0.0 111.988 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.6 163.82 37.41 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.075 2.517 . . . . 0.0 112.17 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.31 117.0 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.7 170.43 8.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.479 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' OD1' ' HG2' ' A' ' 103' ' ' ARG . 13.0 t70 -68.89 136.53 89.85 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.898 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 35.4 Cg_exo -61.22 -5.08 4.61 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.567 2.845 . . . . 0.0 114.45 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.736 ' HA ' ' HE ' ' A' ' 103' ' ' ARG . 1.4 mmp_? -55.44 -29.45 58.67 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 110.047 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -57.14 -38.08 72.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.318 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.95 -8.66 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.2 m -116.2 -44.73 2.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.375 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.699 ' HE2' ' HD3' ' A' ' 103' ' ' ARG . 64.8 m-85 -77.16 -20.57 55.32 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.49 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG22 ' HG2' ' A' ' 70' ' ' GLU . 78.9 t -78.27 106.18 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 33.7 mtp180 -77.6 123.78 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 0.0 110.235 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 31.5 mt-10 -102.46 131.48 49.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.48 -175.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.83 155.99 47.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.9 m -117.25 127.12 53.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.973 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.447 HG22 ' HD1' ' A' ' 119' ' ' PHE . 24.2 p -68.91 141.14 55.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.97 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.5 -174.95 5.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.697 0.284 . . . . 0.0 110.692 176.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -60.65 -26.93 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -75.88 -11.51 59.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.706 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.06 40.37 51.22 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -137.37 153.34 50.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.154 -175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.447 ' HD1' HG22 ' A' ' 113' ' ' THR . 41.7 p90 -147.77 167.48 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.909 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.45 143.44 26.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 53.6 m-85 -120.07 154.72 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.982 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.99 159.39 42.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.337 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.495 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 36.2 t-80 64.0 58.17 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.427 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.487 HG12 HH11 ' A' ' 109' ' ' ARG . 67.2 mt -129.07 129.5 23.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 141.71 95.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.305 2.003 . . . . 0.0 111.1 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.29 133.74 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.323 0.582 . . . . 0.0 111.754 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.7 -174.39 43.34 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 63.3 m -82.93 132.91 35.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.094 0.447 . . . . 0.0 110.701 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 86.1 m-85 -135.27 168.78 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.328 0.585 . . . . 0.0 111.224 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -120.04 131.73 55.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.542 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 81.7 mt -101.06 104.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 m -98.7 129.17 45.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.81 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.1 m -143.55 127.93 17.84 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.881 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.23 91.36 7.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 52' ' ' LEU . 53.7 tp -119.65 102.82 8.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.498 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.1 t -131.02 143.9 51.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.194 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -146.8 164.12 33.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.141 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.0 m -96.89 125.04 41.05 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.826 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.16 124.1 51.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.487 . . . . 0.0 110.511 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -84.04 101.03 11.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.891 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.9 t -106.74 107.45 18.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.268 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t70 66.13 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.904 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.16 -1.35 2.29 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.886 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.14 141.83 47.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.098 0.449 . . . . 0.0 110.537 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 2.1 m -87.53 114.39 24.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 27.4 pt -93.69 145.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.4 m -86.92 103.15 15.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.15 0.5 . . . . 0.0 110.174 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 6.5 mm-40 -98.87 142.33 30.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.97 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.04 -166.79 41.07 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.661 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 146.7 -138.55 7.43 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 26.3 m -88.09 106.88 18.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.89 0.345 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.79 121.71 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.077 0.465 . . . . 0.0 110.125 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 29.3 m -110.3 121.79 46.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.902 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 167' ' ' LEU . 61.4 tttp -109.42 125.94 52.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.1 tp -80.13 120.07 23.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.335 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.78 122.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.891 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 87.6 m -87.53 105.05 17.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.317 0.58 . . . . 0.0 109.801 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.9 89.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.696 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.4 m -108.42 8.43 27.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.449 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 164' ' ' GLN . . . -91.69 94.14 1.9 Allowed Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.794 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.549 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.1 t -71.93 -28.54 63.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -84.27 158.51 60.81 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 170.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.59 101.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.935 2.424 . . . . 0.0 112.735 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.452 ' HB2' ' HA3' ' A' ' 160' ' ' GLY . 58.3 tt0 -96.45 112.58 24.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.566 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -84.55 115.99 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 110.728 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.562 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 64.0 t -116.23 117.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.914 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.491 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 6.6 mp -89.61 109.53 20.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.118 0.485 . . . . 0.0 109.914 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 50' ' ' LEU . 38.0 tp -77.34 98.72 5.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.676 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.428 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.5 t -167.36 170.9 11.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.438 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.773 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -78.37 -30.36 47.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.609 0.242 . . . . 0.0 110.364 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m 66.96 -68.78 0.14 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.621 0.768 . . . . 0.0 112.586 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -129.03 119.83 24.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -119.05 146.29 45.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.65 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -83.63 96.67 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.522 0.677 . . . . 0.0 110.662 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -78.32 -24.93 46.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.38 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -100.6 93.2 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -172.53 73.9 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.501 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -76.88 -35.45 57.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.489 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -68.62 97.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.36 -18.52 3.07 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -78.06 -29.84 49.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.501 0.667 . . . . 0.0 109.264 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.698 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 27.0 m -79.81 166.87 38.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.754 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.698 ' HD2' ' HB ' ' A' ' 14' ' ' VAL . 57.1 Cg_endo -70.79 34.77 0.25 Allowed 'Trans proline' 0 N--CA 1.476 0.496 0 C-N-CA 122.923 2.415 . . . . 0.0 113.371 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 58.45 31.44 20.97 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.276 0.63 . . . . 0.0 110.633 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.26 124.19 0.91 Allowed Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.223 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -90.37 -16.91 28.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 69.38 -78.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.635 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 86.5 mtp 58.16 27.16 14.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.154 0.502 . . . . 0.0 111.03 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.27 -140.96 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.09 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m 71.11 30.87 2.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -94.6 112.03 56.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.701 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.14 125.99 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.024 2.483 . . . . 0.0 111.817 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -81.49 -72.06 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.755 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -168.0 -65.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.359 0.599 . . . . 0.0 109.689 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.93 160.19 66.8 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.847 173.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.1 -163.05 0.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.806 2.337 . . . . 0.0 111.38 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.601 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 t70 -78.44 -171.41 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -112.37 91.82 17.6 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 122.134 -0.354 . . . . 0.0 111.306 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 31.5 Cg_endo -97.79 115.59 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.704 2.936 . . . . 0.0 112.026 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -85.51 -6.27 59.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.317 0.579 . . . . 0.0 109.928 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -53.36 -41.24 65.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.528 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.9 -28.91 69.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.559 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB3' ' HE2' ' A' ' 107' ' ' TYR . 89.9 m-85 -85.17 -29.57 24.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.11 -20.83 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.68 31.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -100.47 -178.72 3.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.461 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -152.67 156.87 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -111.47 -11.3 14.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.83 95.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.615 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -151.74 146.56 15.44 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.759 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.69 17.7 6.07 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.96 135.04 25.88 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.081 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -108.74 106.3 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.8 mt -100.49 111.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.203 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 14.0 m120 -103.45 115.99 31.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.655 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -117.3 122.13 5.35 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.917 -172.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.55 109.26 21.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 168' ' ' LEU . 37.9 tp -88.04 132.84 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.739 0.304 . . . . 0.0 110.927 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' A' ' 59' ' ' ILE . 43.7 p90 -171.15 126.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.965 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.3 134.18 55.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.666 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -82.99 126.78 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.235 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 m -74.79 158.95 32.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.681 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -10.23 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.433 0.635 . . . . 0.0 110.154 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 p -93.15 8.87 38.36 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.493 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.85 64.08 3.07 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.768 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -148.57 163.18 38.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 51' ' ' TYR . 53.1 mt -109.59 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.118 0.485 . . . . 0.0 111.425 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 15.5 mm100 -94.65 109.63 21.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 169.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -75.85 -25.97 56.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.58 86.24 0.99 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.63 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -104.89 129.47 53.24 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 62.22 40.83 11.18 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.641 0.588 . . . . 0.0 110.135 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 m -112.92 136.88 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.364 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.29 120.95 26.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.214 0.53 . . . . 0.0 111.807 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.81 116.7 43.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.433 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 109' ' ' ARG . . . -102.4 126.42 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tt -116.28 129.71 56.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 108' ' ' VAL . 6.2 pt-20 -138.96 155.44 72.96 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.798 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 16.5 Cg_exo -68.27 136.3 36.82 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.048 2.499 . . . . 0.0 112.614 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.16 106.22 9.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -100.78 166.92 10.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -77.58 -22.43 50.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.681 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -73.75 -37.45 65.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.5 -3.54 34.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.476 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -55.84 -42.53 75.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -68.39 -46.22 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.161 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -63.93 -35.48 80.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.483 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' HE1' HG21 ' A' ' 153' ' ' THR . 90.2 t80 -62.83 -35.6 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 178.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.93 61.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 31.2 mmmt -72.84 -44.82 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.133 0.492 . . . . 0.0 110.319 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -124.69 -82.11 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.762 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.82 -128.17 42.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.929 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.3 p-10 -80.34 78.14 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.914 0.864 . . . . 0.0 109.904 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 91' ' ' ARG . 6.9 tt -106.14 114.79 29.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.157 -174.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.12 149.53 47.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.562 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.89 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.8 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 55.7 pttt -107.44 27.9 8.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . 16.3 tpp180 -67.51 101.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.1 t70 -77.04 119.76 78.84 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.903 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.0 Cg_endo -82.62 -9.0 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.785 2.323 . . . . 0.0 112.663 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.14 -43.44 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.624 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.63 110.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.42 0.629 . . . . 0.0 110.833 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -96.59 147.86 33.57 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.069 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.81 115.99 2.91 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.319 2.013 . . . . 0.0 111.63 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.38 174.94 11.31 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.875 2.383 . . . . 0.0 112.93 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.43 102.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.57 178.18 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.245 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.7 p-10 -73.42 156.74 88.71 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.972 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 2.6 Cg_exo -77.19 -8.91 17.7 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.883 2.389 . . . . 0.0 112.23 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -75.52 -25.69 57.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.007 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.2 mmp_? -44.44 -67.66 0.26 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.646 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -4.31 7.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.077 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.9 m -88.0 -43.7 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 0.0 110.448 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' A' ' 35' ' ' TYR . 65.7 m-85 -94.5 -21.31 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.82 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 99.1 t -68.47 114.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 75.2 ttt180 -101.37 130.82 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.415 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.61 122.61 47.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.092 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.65 117.34 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.484 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 m -82.32 120.1 24.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.583 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.522 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 28.4 p -62.95 149.04 45.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.99 -164.27 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.476 0.655 . . . . 0.0 111.643 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -58.36 -35.58 72.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.707 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -77.97 -68.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.522 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 141.54 42.67 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.755 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 ttt180 -121.32 154.02 36.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -141.62 137.16 31.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.738 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -125.68 134.5 51.8 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.516 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 67.9 m-85 -116.8 150.25 38.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.44 168.17 20.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 21.6 t-80 65.76 38.69 5.1 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.728 0.775 . . . . 0.0 110.356 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 46' ' ' ILE . 1.6 mp -100.42 120.52 56.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.574 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 36.7 Cg_endo -69.0 152.6 73.2 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.259 1.973 . . . . 0.0 111.2 174.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -67.44 142.62 56.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.799 0.333 . . . . 0.0 110.42 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.12 -177.57 27.24 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.588 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.4 m -101.29 132.26 46.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.961 0.38 . . . . 0.0 110.908 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 81.0 m-85 -133.93 162.1 32.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.092 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.49 ' CE1' HD13 ' A' ' 155' ' ' LEU . 55.9 m-85 -110.04 120.77 43.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.219 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HG21 ' A' ' 156' ' ' VAL . 59.2 mt -97.33 104.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 49.8 m -114.61 119.19 35.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 152' ' ' VAL . 37.5 t -125.33 131.87 52.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -96.06 91.31 5.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.39 0.614 . . . . 0.0 110.171 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -111.41 101.88 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.447 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.8 t -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.201 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.48 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 49.4 p90 -132.22 170.07 15.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.978 -175.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.5 p -117.4 123.41 46.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.51 137.34 53.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 67.5 mt-30 -85.47 110.51 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.04 0.448 . . . . 0.0 110.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.3 m -102.86 104.29 14.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 55.62 41.81 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.335 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.34 32.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.732 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -94.86 110.13 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.3 m -70.52 112.69 6.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.2 pt -106.0 152.2 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.1 m -99.11 112.21 24.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.268 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 37.7 mt-10 -104.19 150.3 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.6 178.12 45.32 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.361 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.12 -145.1 9.35 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 18.1 m -84.08 102.48 12.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 132' ' ' SER . 10.4 p -94.58 132.08 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.413 HG21 ' HE1' ' A' ' 80' ' ' TYR . 20.9 m -114.51 121.07 42.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.049 0.452 . . . . 0.0 110.852 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -109.54 117.25 33.47 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.379 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.0 tp -80.03 113.29 18.08 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.485 HG21 HD12 ' A' ' 131' ' ' ILE . 76.0 t -121.93 122.89 67.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 13.6 t -112.26 121.02 43.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.457 0.646 . . . . 0.0 109.579 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.41 112.69 27.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.222 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.1 p -66.62 -45.39 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.857 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -159.65 -167.63 20.54 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.352 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.459 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.5 m -83.91 58.24 4.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -120.15 167.08 13.33 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.047 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 107.47 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.73 2.287 . . . . 0.0 111.529 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -104.05 103.46 13.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.079 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.37 116.28 22.95 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.655 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.7 t -124.59 111.32 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.328 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.7 112.21 19.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 50' ' ' LEU . 29.8 tp -79.69 82.7 5.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.947 -177.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.1 t -140.41 -158.97 0.91 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.833 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 170' ' ' ARG . 7.2 tpt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.393 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -83.06 15.05 2.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 0.0 111.076 -176.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -61.09 -30.86 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 11.0 p80 -108.23 126.18 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.33 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 4' ' ' HIS . 34.0 m-70 71.57 93.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 124.005 0.816 . . . . 0.0 110.731 -173.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -102.18 148.51 25.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.944 176.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -71.43 81.41 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.273 0.559 . . . . 0.0 111.388 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -112.72 140.73 47.25 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -92.46 27.23 2.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.627 0.727 . . . . 0.0 109.495 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 p -82.63 76.92 9.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.307 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 p -94.73 3.15 55.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.638 0.732 . . . . 0.0 109.39 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.03 -135.64 7.26 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.693 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' HG ' ' H ' ' A' ' 14' ' ' VAL . 1.7 pt? -143.97 -58.98 0.39 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 m -136.4 120.91 12.78 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.614 177.088 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -65.38 -42.95 11.72 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.394 2.063 . . . . 0.0 112.07 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 50.47 -91.79 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.814 0.846 . . . . 0.0 112.703 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.99 52.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.297 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.7 p -100.09 -155.49 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.774 -0.213 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' SER . 41.6 m80 76.46 -38.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.607 0.763 . . . . 0.0 111.909 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.1 ttt -73.79 81.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.592 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.03 17.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.366 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 t -89.34 0.16 57.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.53 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -121.41 118.56 29.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.138 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.91 101.94 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.444 2.096 . . . . 0.0 112.173 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -130.48 -49.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.791 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.66 -83.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.0 109.05 41.52 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' ' 31' ' ' PRO . 34.8 Cg_endo -93.68 140.77 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.378 2.718 . . . . 0.0 112.739 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.62 -17.7 59.03 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 111.24 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.0 m-85 -61.5 -56.68 31.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -175.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 84.3 Cg_endo -79.53 21.41 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.135 1.89 . . . . 0.0 113.937 -172.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -86.7 40.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 0.0 109.764 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -95.75 0.88 52.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.96 -19.53 27.12 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 104' ' ' ARG . 11.7 m-30 -67.5 -30.43 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.249 0.477 . . . . 0.0 110.715 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 8.16 31.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.402 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.71 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -80.54 109.98 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -153.73 -179.63 7.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 68.53 103.85 0.05 Allowed 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.119 0.887 . . . . 0.0 110.47 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.37 130.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.399 0.618 . . . . 0.0 111.527 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.96 -164.89 15.45 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.149 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.26 3.99 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.129 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.25 101.24 1.23 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 50.6 t -82.92 106.42 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -93.43 106.13 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 3.9 t-20 -128.7 133.88 48.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.395 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -178.06 -163.9 30.41 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.534 -1.317 . . . . 0.0 113.194 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.58 155.53 45.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.648 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.649 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 23.4 tp -117.53 130.12 56.22 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.676 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 38.4 p90 -167.99 129.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 169' ' ' THR . 91.7 mt -119.75 125.6 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.41 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.533 HG23 HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -82.34 123.79 29.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.096 0.475 . . . . 0.0 110.61 174.506 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.611 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 13.5 p -80.59 164.22 23.07 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.194 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.0 -20.51 65.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.615 0.721 . . . . 0.0 109.268 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -74.03 -7.32 52.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.832 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.01 24.18 53.23 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.096 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.84 136.39 53.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.667 0.27 . . . . 0.0 110.649 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 53' ' ' THR . 97.5 mt -89.66 119.23 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.359 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 16.0 mm100 -100.65 108.95 20.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.845 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 17.9 mmtt -69.67 -16.68 63.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.743 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.33 94.48 0.22 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -107.14 132.29 53.19 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.12 26.64 13.96 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.141 0.496 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -91.71 138.19 31.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.301 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 5.2 mptp? -86.82 115.68 24.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.96 0.409 . . . . 0.0 111.222 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 86.1 t -93.75 105.25 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.45 108.45 21.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 130' ' ' TYR . 10.2 tt -104.63 112.68 25.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HG22 ' A' ' 108' ' ' VAL . 14.0 pt-20 -129.76 162.74 51.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.64 135.44 45.35 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.1 2.534 . . . . 0.0 113.613 -174.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 100.68 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.012 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.9 p -109.45 171.15 7.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 7.8 t -71.06 -30.54 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.291 0.567 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -68.9 -40.12 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.543 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -74.46 -32.8 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.756 -175.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 74' ' ' SER . 64.1 pttt -62.9 -26.68 68.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.645 0.26 . . . . 0.0 111.424 -176.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.26 67.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.109 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.76 -40.05 88.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.632 ' HE1' ' HB ' ' A' ' 153' ' ' THR . 72.1 t80 -61.08 -33.42 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.57 91.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.927 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.836 ' HE2' ' HA ' ' A' ' 82' ' ' LYS . 7.8 mmpt? -85.0 -53.53 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.385 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.08 80.85 1.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.676 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.13 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -111.51 106.61 15.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -134.8 121.49 20.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.946 -173.074 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -57.42 144.14 37.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.375 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.311 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.8 84.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.415 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 4.9 pttm -94.95 27.68 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.032 0.444 . . . . 0.0 110.958 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.568 ' HA ' HD21 ' A' ' 86' ' ' LEU . 8.1 tpt180 -72.31 107.5 4.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.719 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.39 118.98 71.07 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.831 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.75 -2.3 8.23 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.864 2.376 . . . . 0.0 113.146 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.05 -49.97 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 109.945 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.98 97.08 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.762 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -88.37 146.9 38.78 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.408 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 54.2 Cg_exo -52.4 132.18 43.56 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.06 2.507 . . . . 0.0 112.426 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.4 Cg_exo -58.36 142.92 98.01 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.139 2.559 . . . . 0.0 112.676 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -71.63 115.45 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.262 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' NH1' ' A' ' 104' ' ' ARG . 87.6 mt -97.2 167.62 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.574 ' OD1' ' HG3' ' A' ' 103' ' ' ARG . 12.5 t70 -72.15 140.52 82.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.999 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.71 -10.92 10.35 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.542 2.828 . . . . 0.0 114.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.578 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 78.3 mtt180 -49.95 -48.51 51.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 176.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 ptm180 -58.67 -39.54 80.95 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.921 0.391 . . . . 0.0 111.317 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -76.09 -39.06 56.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.6 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -84.83 -9.76 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.713 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 104' ' ' ARG . 42.9 t -69.95 118.95 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.021 0.439 . . . . 0.0 110.558 177.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.668 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.0 147.78 29.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.272 0.558 . . . . 0.0 110.962 -178.06 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -139.68 152.97 47.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.598 -176.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.7 m -96.94 115.89 28.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 p -56.59 141.39 43.39 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 112.011 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.41 168.53 8.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.575 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.37 64.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.363 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -95.35 19.91 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.541 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 56.86 60.48 8.94 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.196 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -137.32 150.47 47.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.38 135.42 42.64 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.145 0.497 . . . . 0.0 110.71 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.81 108.99 12.52 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.06 143.53 45.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.818 0.342 . . . . 0.0 111.673 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 7.8 p-10 -159.26 -174.44 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 78.6 m80 70.4 30.72 3.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.791 0.436 . . . . 0.0 110.416 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.8 mt -121.17 127.42 26.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.399 -0.188 . . . . 0.0 111.123 -170.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.65 149.26 79.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.458 2.105 . . . . 0.0 111.256 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 3.2 p-10 -68.75 150.62 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.896 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.08 -172.32 33.38 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.683 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.5 p -94.24 128.01 40.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.654 0.264 . . . . 0.0 110.783 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -131.09 158.84 39.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.976 0.417 . . . . 0.0 111.188 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 26.3 m-85 -111.27 128.9 56.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.043 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.416 HG23 HG13 ' A' ' 67' ' ' VAL . 52.9 mt -101.84 104.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -105.48 127.06 52.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.1 p -147.76 120.9 8.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.914 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 37.7 tt0 -90.1 91.24 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.846 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 52' ' ' LEU . 48.5 tp -105.56 100.83 10.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.28 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 t -134.18 144.66 48.62 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.987 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.9 p90 -147.52 142.92 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.704 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.1 m -84.38 111.87 19.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.55 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -91.63 116.41 28.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.2 p -72.61 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.277 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -115.87 14.26 16.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.763 0.792 . . . . 0.0 108.911 174.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.32 -25.98 2.59 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.853 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -85.14 131.09 34.49 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -93.6 110.69 22.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.033 0.444 . . . . 0.0 110.293 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.7 pt -109.88 140.23 29.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.606 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 7.9 m -81.47 95.47 7.09 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.92 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.611 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 4.4 mt-10 -84.26 164.74 18.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.526 -177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.02 -149.36 31.05 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.777 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 147.89 -164.73 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.037 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 2.2 m -85.23 102.62 13.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.25 119.66 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.523 0.678 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.632 ' HB ' ' HE1' ' A' ' 80' ' ' TYR . 17.0 m -114.91 123.55 49.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.515 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -109.41 135.34 50.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.748 0.309 . . . . 0.0 110.433 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.9 tp -80.26 124.03 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.016 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.72 127.52 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.97 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.0 m -112.01 107.88 17.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 40.3 t -104.76 98.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.5 t -101.1 6.75 43.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.89 0.376 . . . . 0.0 110.8 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -141.77 157.88 26.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.471 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.7 m -87.83 35.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.046 0.45 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -119.12 154.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.061 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.1 Cg_exo -60.25 110.06 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.743 2.295 . . . . 0.0 112.692 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -96.96 127.2 42.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.437 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 12.0 tptt -84.51 121.56 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.835 0.35 . . . . 0.0 110.075 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.604 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 52.7 t -119.22 114.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.124 0.488 . . . . 0.0 110.882 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.13 112.29 24.1 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 22.0 tp -85.09 95.92 9.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.373 0.606 . . . . 0.0 110.1 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.425 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.6 t -155.26 169.64 23.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.727 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.133 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 112.104 -0.398 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -78.96 98.13 6.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.495 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 p -93.4 153.41 18.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -62.19 122.77 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.982 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -82.29 -25.6 33.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.511 -174.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -78.66 -31.2 46.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.364 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.1 m170 57.75 -101.5 0.13 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -149.07 -31.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 167.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -145.48 96.68 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.577 172.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -87.29 -75.67 0.39 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.117 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -94.03 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.25 0.547 . . . . 0.0 109.895 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.15 -127.2 2.2 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.597 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.53 102.09 8.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.0 t -114.79 89.96 20.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.87 -19.05 5.12 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.167 2.578 . . . . 0.0 112.631 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -93.29 104.26 16.45 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.241 0.544 . . . . 0.0 110.392 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 89.87 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.6 p -72.13 -65.28 0.79 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.775 -174.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 26.9 p-80 -149.31 140.45 23.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.784 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.5 ttm -80.13 91.91 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.409 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.44 52.95 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 m -56.95 -49.77 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.65 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -139.4 100.28 7.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -92.16 22.25 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.991 2.46 . . . . 0.0 112.693 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -94.41 -79.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.646 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 46.6 49.76 13.48 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.601 0.563 . . . . 0.0 110.771 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 98' ' ' PRO . 91.1 mt 69.02 90.72 0.08 OUTLIER Pre-proline 0 N--CA 1.464 0.231 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.421 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.09 148.37 62.81 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.837 2.358 . . . . 0.0 111.882 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.08 105.21 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.147 0.499 . . . . 0.0 111.692 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' H ' ' HE1' ' A' ' 75' ' ' TYR . 66.2 m-85 -127.37 149.51 70.06 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 173.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.76 -169.91 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.624 2.216 . . . . 0.0 112.413 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -79.58 3.67 18.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -63.38 -41.01 98.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.225 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -68.98 -37.54 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -70.54 -32.81 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.85 -2.33 57.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.04 -4.88 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.531 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.6 p -79.09 74.54 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.339 0.59 . . . . 0.0 110.777 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -121.93 108.28 13.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.133 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 125' ' ' PRO . 5.0 tm0? -162.65 98.86 1.0 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 t -74.31 102.64 2.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.023 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.42 146.1 17.61 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.514 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.4 44.06 1.66 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.786 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.22 104.94 1.36 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.539 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.24 105.95 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 158' ' ' VAL . 50.5 mt -106.25 119.82 56.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.958 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -103.96 117.45 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.994 175.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -115.18 123.01 5.8 Favored Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.049 -174.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 167' ' ' LEU . 3.1 m-20 -110.56 112.16 23.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 25.2 tp -95.07 132.47 39.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' HE1' HD12 ' A' ' 167' ' ' LEU . 21.2 p90 -161.74 127.28 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 170.318 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.46 132.39 54.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.599 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 117.31 22.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.361 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.437 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 5.0 m -64.28 154.63 34.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.782 177.15 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.59 67.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.415 0.626 . . . . 0.0 109.822 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -73.68 -19.33 60.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.895 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.95 47.06 2.14 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.631 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.72 149.09 47.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -103.12 108.86 25.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 120.978 0.418 . . . . 0.0 110.613 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -105.95 117.03 32.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 33.0 mmtp -66.93 -72.15 0.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.45 97.45 0.18 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.663 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 p -105.82 135.91 46.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.12 31.37 19.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 134' ' ' GLU . 36.6 m -88.84 132.99 34.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.61 -174.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 133' ' ' SER . 5.9 tppt? -85.35 114.18 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.285 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -103.27 112.1 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.31 121.99 41.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.365 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 131' ' ' ILE . 67.9 tp -117.06 114.46 23.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.43 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.609 ' HB3' HG22 ' A' ' 108' ' ' VAL . 17.1 pt-20 -142.08 154.07 64.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.834 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.3 140.07 43.46 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.791 2.327 . . . . 0.0 112.96 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.6 89.48 5.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -94.22 162.8 13.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -60.79 -23.19 64.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 0.0 111.357 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.542 ' HE1' ' H ' ' A' ' 30' ' ' PHE . 8.8 t80 -72.38 -20.09 61.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.573 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 87.9 mmm -93.24 6.66 47.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.014 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -55.71 -58.36 8.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.36 -16.95 50.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 111.327 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.8 -45.49 71.11 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -72.04 -34.15 68.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.462 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.2 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.666 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -84.99 -25.08 27.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.95 -91.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.049 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.98 -117.6 11.86 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.953 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 153' ' ' THR . 3.2 p30 -92.72 114.12 26.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.428 0.632 . . . . 0.0 110.635 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -142.19 132.82 25.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.598 -179.502 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.85 175.18 10.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.277 0.56 . . . . 0.0 111.588 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -90.94 4.7 51.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.864 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.72 10.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -98.68 23.42 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.539 ' HA ' HD21 ' A' ' 86' ' ' LEU . 23.2 tpp180 -66.32 105.99 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.714 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -91.27 119.0 68.82 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.084 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.17 1.72 8.68 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.777 2.318 . . . . 0.0 113.354 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.81 -39.05 7.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.737 0.304 . . . . 0.0 110.866 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 99.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 109.909 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.9 pt20 -103.4 139.71 20.37 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.237 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 17.2 Cg_exo -67.55 136.5 39.66 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.077 2.518 . . . . 0.0 112.204 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.46 ' HG2' HD11 ' A' ' 27' ' ' LEU . 7.9 Cg_exo -71.83 144.54 43.79 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.77 2.313 . . . . 0.0 112.24 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.12 104.79 15.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.5 -165.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.012 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.624 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 27.3 t70 -60.04 137.19 90.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.424 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.81 -11.87 16.35 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.572 2.848 . . . . 0.0 114.428 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 1.7 mpp_? -60.76 -27.15 67.75 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.176 -0.328 . . . . 0.0 110.832 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 108' ' ' VAL . 73.3 mtp180 -57.3 -39.72 76.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 176.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.74 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 111.377 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m -87.52 -34.69 18.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -88.72 -29.91 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 70' ' ' GLU . 97.8 t -68.4 102.73 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.97 118.88 20.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.85 116.27 32.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.297 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -113.26 132.69 55.44 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.198 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.3 m -96.06 112.06 23.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -55.43 149.72 12.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.812 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.56 -170.31 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.192 0.52 . . . . 0.0 110.15 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.36 -18.06 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.89 0.85 56.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.559 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.49 31.0 73.29 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -113.81 148.89 35.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.593 -0.304 . . . . 0.0 110.444 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 45.7 p90 -137.97 150.09 46.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.79 133.83 38.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.908 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 66.6 m-85 -134.89 147.49 49.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -134.41 163.87 28.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 53.94 80.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.701 0.626 . . . . 0.0 110.94 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 121' ' ' PHE . 64.6 mt -129.37 130.1 23.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.247 -176.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.592 ' HB2' ' OH ' ' A' ' 129' ' ' TYR . 31.6 Cg_exo -59.74 147.16 93.34 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.582 2.188 . . . . 0.0 111.245 173.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -89.64 129.92 36.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -176.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.09 -168.94 38.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.524 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 29.4 m -89.35 126.71 35.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.859 0.361 . . . . 0.0 110.488 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 125' ' ' PRO . 70.3 m-85 -129.22 153.15 48.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.043 0.449 . . . . 0.0 111.198 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.2 120.76 41.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.152 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 80.0 mt -103.7 106.6 20.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 m -113.59 119.25 36.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.156 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 28.1 p -111.74 133.79 53.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 151' ' ' THR . 42.8 mt-10 -90.09 91.39 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.192 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -126.85 98.15 5.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.734 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' THR . . . . . 0.407 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 6.3 t -132.07 139.03 48.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.861 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.494 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.0 p90 -139.09 156.05 47.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -173.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 p -101.7 111.42 23.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.178 0.513 . . . . 0.0 109.811 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.97 141.71 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -102.68 102.43 12.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.938 0.399 . . . . 0.0 110.3 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -79.67 86.05 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.368 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.2 t0 49.64 54.4 11.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.522 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 99.29 -14.04 61.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.209 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -101.3 107.15 18.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.013 0.407 . . . . 0.0 110.239 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 8.1 m -83.48 109.79 17.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.1 pt -114.65 165.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.727 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.2 m -115.44 101.49 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.494 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.1 mt-10 -92.61 176.59 6.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.04 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.68 -152.31 38.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.784 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.407 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 140.04 -129.95 4.47 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.73 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 134' ' ' GLU . 3.1 p -116.09 105.69 12.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.667 0.27 . . . . 0.0 110.301 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.7 135.95 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 26.2 m -115.76 128.06 55.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.627 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 169' ' ' THR . 16.3 tppt? -109.61 125.73 52.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 60.3 tp -80.67 110.63 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.81 122.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 90.7 m -109.37 109.14 19.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 46' ' ' ILE . 37.3 t -90.91 106.23 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.181 -178.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -113.51 24.03 12.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.45 141.77 8.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.882 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.491 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.7 p -83.36 -3.4 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.473 . . . . 0.0 110.786 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.473 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 75.6 mt-30 -67.87 159.91 76.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 17.4 Cg_endo -59.32 115.27 2.47 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.652 2.235 . . . . 0.0 112.174 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -95.29 136.21 35.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.546 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -109.05 102.26 11.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.401 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.6 t -111.65 111.58 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 49' ' ' ASP . 4.5 mm? -84.6 107.24 16.71 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 50' ' ' LEU . 30.5 tp -80.26 116.71 20.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.165 0.507 . . . . 0.0 109.652 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.45 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 14.7 t -177.49 -171.33 0.32 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.092 177.581 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -89.15 -42.48 11.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.117 0.484 . . . . 0.0 110.395 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 p -83.12 112.8 20.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -106.19 -97.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.671 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.532 ' C ' ' H ' ' A' ' 7' ' ' HIS . 36.4 m80 -138.96 143.44 38.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 71.48 -25.93 0.17 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.474 0.709 . . . . 0.0 110.447 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' H ' ' C ' ' A' ' 5' ' ' HIS . 14.6 m-70 -106.31 79.59 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -78.58 -24.3 45.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.443 -173.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -133.78 115.99 15.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -73.85 -29.97 62.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -86.71 102.51 14.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.34 177.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.98 141.35 12.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.591 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.0 -77.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.727 0.264 . . . . 0.0 110.597 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 m -141.62 90.26 8.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.471 0.653 . . . . 0.0 111.691 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -85.79 -6.89 8.61 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.64 2.227 . . . . 0.0 112.624 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.2 -18.51 20.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.15 105.25 0.33 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.289 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -71.13 -26.6 63.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -132.35 143.19 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.32 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mtp -55.65 142.88 32.24 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.791 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.04 -50.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.087 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 p -77.18 96.29 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -146.34 103.57 4.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.305 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -79.22 -11.25 14.77 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 123.074 2.516 . . . . 0.0 112.209 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.3 95.57 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.718 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -93.22 -40.35 10.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.789 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 78' ' ' ALA . 61.0 mt -80.02 112.7 32.27 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.44 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.12 143.79 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.464 2.109 . . . . 0.0 111.763 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.73 93.51 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.409 0.624 . . . . 0.0 110.992 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -130.71 132.53 24.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.215 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.52 -167.09 0.17 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.616 2.211 . . . . 0.0 113.564 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.07 12.22 6.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.216 -173.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -78.64 -25.34 45.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.753 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.658 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 40.9 tt0 -75.18 -20.6 59.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.153 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.61 -17.43 62.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.76 4.13 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.74 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 0.0 110.611 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -119.24 161.11 20.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.121 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.66 -174.41 4.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.641 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -83.55 -21.14 32.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.315 0.579 . . . . 0.0 109.79 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.53 103.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.05 46.27 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.31 21.26 1.54 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.465 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' A' ' 158' ' ' VAL . . . -75.39 95.69 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.783 177.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' PHE . 66.3 t -77.98 108.43 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.759 0.314 . . . . 0.0 110.25 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -93.44 120.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -102.48 109.38 20.99 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -110.05 128.46 8.88 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.964 -170.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 118' ' ' ARG . 36.0 t70 -115.19 109.21 17.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 168' ' ' LEU . 25.1 tp -98.74 130.56 45.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 50.4 p90 -162.24 131.86 4.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.814 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD21 HG11 ' A' ' 152' ' ' VAL . 80.1 mt -113.59 145.7 40.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.24 0.543 . . . . 0.0 110.483 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -94.7 131.86 40.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.287 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -76.22 -177.84 4.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.799 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.47 -50.01 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 t -85.15 10.12 13.08 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.3 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.27 12.07 71.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.849 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 125.93 27.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -91.49 118.37 36.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.077 0.465 . . . . 0.0 111.654 -173.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -111.96 128.27 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 52.8 mmtt -69.49 -80.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.25 94.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.565 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.16 94.63 6.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.605 0.241 . . . . 0.0 111.298 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 56.34 67.18 1.03 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.484 0.659 . . . . 0.0 110.271 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m -107.73 149.37 28.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.628 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -87.26 111.56 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 111.402 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 62.0 t -98.24 105.45 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.31 122.85 40.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.848 0.356 . . . . 0.0 110.638 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 50.4 tp -105.28 99.03 8.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 108' ' ' VAL . 5.0 pt-20 -110.23 145.77 32.84 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.776 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.56 138.65 38.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.001 2.467 . . . . 0.0 112.937 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -72.21 94.83 1.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.249 0.547 . . . . 0.0 110.195 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.658 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 17.4 p -116.7 170.24 8.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.018 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.3 m -83.68 -31.43 26.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -63.06 -45.23 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.415 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.8 mtp -92.8 6.33 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.767 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.7 -42.25 88.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.007 0.432 . . . . 0.0 110.263 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.572 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -73.5 -26.78 61.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.067 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -68.06 -42.66 80.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.69 -34.22 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.38 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -54.75 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.328 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' NZ ' ' HB3' ' A' ' 82' ' ' LYS . 6.9 mtpm? -67.08 -44.4 80.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.55 0.214 . . . . 0.0 111.468 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 86' ' ' LEU . 96.8 m-85 -104.44 -96.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.617 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 50.28 -119.02 6.59 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.428 -0.415 . . . . 0.0 112.545 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -81.23 95.26 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 83' ' ' PHE . 9.8 tt -117.59 111.03 18.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.823 -171.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HD23 ' A' ' 86' ' ' LEU . 15.8 t70 -68.89 159.48 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.715 175.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.97 -29.28 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.355 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.32 -2.15 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.758 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 37.4 mtmt -103.94 4.91 35.2 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.446 -0.158 . . . . 0.0 111.037 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HA ' HD21 ' A' ' 86' ' ' LEU . 2.8 ttp180 -65.15 108.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 110.275 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.9 t0 -65.14 117.02 35.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.327 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 74.5 Cg_endo -94.41 7.08 2.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.082 2.521 . . . . 0.0 112.854 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -119.72 -43.62 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.853 0.359 . . . . 0.0 111.26 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 118.01 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.546 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.4 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 47.8 mt-30 -86.09 161.23 50.18 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.108 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 12.4 Cg_endo -57.38 115.38 2.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.343 2.029 . . . . 0.0 111.566 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 28.0 Cg_endo -62.06 138.87 75.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.891 2.394 . . . . 0.0 112.671 -176.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.87 105.78 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.725 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 57.3 mt -93.19 -172.0 2.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.082 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.29 136.67 91.28 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.32 -20.9 12.24 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.56 2.84 . . . . 0.0 113.676 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -58.44 -27.51 64.42 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.556 ' HD2' ' HB2' ' A' ' 100' ' ' LEU . 3.8 ptm180 -65.29 -25.76 67.78 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.099 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.75 -16.53 62.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.606 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.9 m -98.91 -44.59 6.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.782 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.84 -32.5 63.71 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 70' ' ' GLU . 50.2 t -82.96 100.63 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.338 0.59 . . . . 0.0 109.426 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -86.18 124.89 33.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.405 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 35.0 mt-10 -102.07 133.21 47.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.458 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -114.19 129.5 56.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.141 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -95.4 109.09 21.31 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.7 p -64.52 151.79 43.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.322 0.582 . . . . 0.0 111.712 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -73.81 -173.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.37 -25.79 65.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.16 0.505 . . . . 0.0 110.011 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -86.1 10.12 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.001 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.52 36.23 90.86 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.127 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 49' ' ' ASP . 78.2 mtt180 -119.4 167.52 11.84 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 117.391 0.596 . . . . 0.0 111.873 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -167.27 169.86 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.786 -173.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -147.13 152.99 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 49.8 m-85 -133.78 155.19 50.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -156.49 -174.48 4.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.553 173.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.0 m170 62.88 30.14 16.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.258 0.552 . . . . 0.0 110.658 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 121' ' ' PHE . 69.8 mt -109.5 122.1 40.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.716 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.69 158.8 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.439 2.093 . . . . 0.0 111.317 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.1 137.76 58.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.42 -174.91 34.19 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.035 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 9.2 t -111.82 135.41 52.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.166 0.508 . . . . 0.0 111.257 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -136.84 170.21 16.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.481 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -111.32 128.7 56.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.013 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.7 mt -100.17 105.24 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -105.35 127.05 52.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.385 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -137.72 119.33 14.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.828 0.347 . . . . 0.0 110.311 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 44.5 tt0 -91.15 97.38 11.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.238 0.542 . . . . 0.0 110.015 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.24 109.32 15.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.522 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.2 t -137.82 142.64 40.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.046 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -142.68 153.91 43.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.28 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.9 p -84.49 138.94 32.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.01 163.11 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.518 . . . . 0.0 110.777 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -104.66 115.87 31.07 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.322 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' ' 144' ' ' LYS . 6.8 p -107.3 81.81 1.58 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.962 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 67.76 -84.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.689 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -117.38 -4.81 15.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.075 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' OG ' ' A' ' 141' ' ' SER . 22.1 pttm -125.65 148.77 48.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.507 -0.408 . . . . 0.0 111.33 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.9 m -97.24 118.17 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.852 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -109.55 170.53 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 0.0 111.288 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 20.6 m -102.73 108.84 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -92.46 150.73 20.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.472 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.39 -138.43 14.09 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.369 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.27 -161.11 26.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 13.0 m -96.04 102.76 14.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 52' ' ' LEU . 7.6 p -95.43 127.23 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.057 0.456 . . . . 0.0 110.327 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 35.8 m -132.12 117.98 19.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.928 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -109.31 148.94 30.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -84.88 111.26 19.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.904 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.537 HG21 HD12 ' A' ' 131' ' ' ILE . 84.1 t -121.02 119.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 45.7 m -106.19 120.82 42.81 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.328 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 164' ' ' GLN . 57.9 t -79.69 114.81 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 39.7 m -80.81 -27.01 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.101 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -173.12 -164.8 29.06 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.103 -1.046 . . . . 0.0 112.966 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 15.49 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.38 0.61 . . . . 0.0 110.396 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -91.97 165.56 19.93 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.442 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.82 110.78 1.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.4 2.067 . . . . 0.0 111.702 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.473 ' HG3' HG13 ' A' ' 158' ' ' VAL . 13.7 mm100 -95.25 97.28 9.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -86.69 113.49 22.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.962 0.411 . . . . 0.0 110.408 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.5 122.95 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.663 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.68 111.29 23.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.474 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 50' ' ' LEU . 23.7 tp -87.92 95.41 10.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.306 0.574 . . . . 0.0 109.652 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.5 t -163.27 172.01 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.292 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.543 177.296 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -112.13 86.68 2.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 m -81.46 -3.03 51.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.891 -172.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -80.42 58.55 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.434 0.635 . . . . 0.0 110.205 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -144.71 113.76 6.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.937 177.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -82.55 81.11 8.48 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.454 -173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 64.84 -78.24 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.062 0.851 . . . . 0.0 111.374 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -172.22 118.73 0.39 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -92.74 100.19 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.959 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.1 p -124.4 163.51 21.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.78 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -105.02 111.94 24.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.168 0.509 . . . . 0.0 110.955 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.05 85.56 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -90.8 117.85 29.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.75 0.31 . . . . 0.0 110.78 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 11.6 m -100.33 110.15 59.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 176.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 14' ' ' VAL . 11.4 Cg_endo -55.94 -63.66 0.17 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.971 2.447 . . . . 0.0 111.817 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 107.41 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 175.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.95 4.09 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.369 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -149.87 -67.05 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.218 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 57.18 65.99 1.26 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -168.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.3 tpp -93.08 -74.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.861 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 111.728 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -80.51 140.71 35.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.405 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -127.49 133.86 25.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.12 119.36 6.48 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.659 2.24 . . . . 0.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -95.95 -2.73 46.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.276 0.56 . . . . 0.0 109.859 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.71 -49.34 48.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.858 174.149 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 98' ' ' PRO . 64.8 mt -134.3 126.36 18.35 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.018 168.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 19.6 Cg_endo -58.44 -33.36 97.85 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.229 2.62 . . . . 0.0 114.355 -167.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 31' ' ' PRO . 10.2 t0 -164.36 166.49 20.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -177.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 87.1 t80 -85.52 -54.85 0.42 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD2' ' OD1' ' A' ' 29' ' ' ASP . 9.5 Cg_endo -52.99 121.01 8.58 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.168 1.912 . . . . 0.0 112.917 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -116.95 24.19 11.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.664 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -61.75 -12.9 19.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -21.59 63.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 173.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 32' ' ' GLU . 34.5 m-85 -63.76 -34.37 77.74 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 173.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.42 2.48 28.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.579 -173.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -30.03 60.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.152 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 p -92.1 112.99 25.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -89.26 -174.43 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.72 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -105.07 7.3 33.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.413 0.625 . . . . 0.0 110.317 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.64 117.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.881 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 176.7 165.17 31.82 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.93 20.43 7.65 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.12 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.97 109.36 2.85 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.952 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 75.7 t -97.85 116.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.5 118.8 57.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -102.41 104.25 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.79 122.12 7.39 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.931 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.76 109.0 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 168' ' ' LEU . 35.5 tp -90.51 130.42 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 59' ' ' ILE . 48.6 p90 -174.96 123.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.594 0.559 . . . . 0.0 110.164 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 170' ' ' ARG . 60.7 mt -108.45 153.56 23.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.461 HG23 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -107.71 122.28 46.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.913 0.387 . . . . 0.0 111.629 -177.099 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 m -69.19 150.91 46.96 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 170.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.06 66.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.3 p -76.5 1.5 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.48 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.95 56.81 2.65 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.288 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.29 125.69 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.643 0.258 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 51' ' ' TYR . 21.9 mm -79.05 105.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.008 173.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -92.13 109.54 20.91 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.557 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 5.1 mmtt -63.72 -71.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.925 -170.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.79 80.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.197 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -84.44 101.47 12.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.809 0.338 . . . . 0.0 111.346 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 62.87 47.83 4.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -95.51 134.19 38.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.139 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -78.75 122.46 26.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.037 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.25 130.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.719 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.42 140.66 46.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.93 0.395 . . . . 0.0 111.078 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.11 101.24 8.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.982 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HA ' HG22 ' A' ' 108' ' ' VAL . 42.2 mt-10 -103.68 141.84 23.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.785 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 15.3 Cg_exo -69.26 119.5 6.47 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.752 2.301 . . . . 0.0 111.89 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.6 104.41 8.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.762 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -159.19 -161.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.315 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' TYR . 22.9 t -73.35 -165.61 0.27 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.474 0.31 . . . . 0.0 110.311 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 74' ' ' SER . 73.9 t80 73.23 -53.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.226 0.611 . . . . 0.0 111.279 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtp -90.24 17.23 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.414 -0.179 . . . . 0.0 111.338 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 54.7 tttm -57.36 -46.28 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.25 -15.07 51.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.152 0.501 . . . . 0.0 110.874 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 98' ' ' PRO . 42.5 t80 -71.24 -41.49 70.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.763 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -81.12 -5.84 58.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.919 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.17 -37.75 23.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.246 0.546 . . . . 0.0 109.765 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HZ2' ' HG3' ' A' ' 98' ' ' PRO . 98.5 mttt -71.87 -48.95 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.288 175.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -103.59 -86.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.893 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.65 43.02 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -85.86 87.93 7.48 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 90' ' ' LYS . 7.1 tt -102.46 105.0 15.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.657 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.46 162.73 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.17 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -18.78 65.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.23 -0.294 . . . . 0.0 111.337 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.64 -18.96 59.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.026 173.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HB3' ' HG ' ' A' ' 86' ' ' LEU . 15.1 mmmt -94.01 6.55 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.162 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -73.64 85.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.842 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 95' ' ' VAL . 33.2 t70 -114.3 134.46 22.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.097 -173.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 29.6 Cg_exo -62.73 -31.85 78.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.203 2.602 . . . . 0.0 113.578 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.17 -8.09 59.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.464 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.526 HG23 ' HB3' ' A' ' 92' ' ' ASP . 42.6 t -81.13 77.33 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 48.7 mt-30 -83.12 131.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.958 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 25.6 Cg_exo -62.94 120.55 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.797 2.331 . . . . 0.0 111.145 174.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.566 ' HG3' ' HZ2' ' A' ' 82' ' ' LYS . 39.3 Cg_exo -60.71 157.36 37.87 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.847 2.365 . . . . 0.0 111.984 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.16 91.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 110.433 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -86.34 158.07 19.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.167 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.01 136.55 61.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.307 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.82 -18.78 17.12 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.543 2.829 . . . . 0.0 113.87 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -57.67 -29.24 64.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.3 ptt180 -62.07 -36.78 82.71 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 -8.21 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.206 0.526 . . . . 0.0 111.041 -177.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -86.82 -39.4 15.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.898 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.66 -40.76 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.41 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 70' ' ' GLU . 94.2 t -69.02 121.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -102.88 146.53 28.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.78 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.92 143.75 41.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.632 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -124.06 161.04 26.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.5 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.4 m -136.44 108.77 7.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.488 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 24.8 p -68.43 138.27 55.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -177.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.84 -161.02 0.67 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.87 -32.31 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.877 0.471 . . . . 0.0 111.431 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -75.91 -14.68 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.479 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.557 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 59.51 43.83 97.24 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -137.41 148.23 46.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.592 -0.358 . . . . 0.0 110.225 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.12 154.19 44.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.17 148.3 34.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.985 0.422 . . . . 0.0 110.845 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.632 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 73.5 m-85 -136.94 153.41 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.43 173.84 11.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.789 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 13.9 m80 61.5 47.73 6.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.129 0.49 . . . . 0.0 111.436 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.7 mt -120.89 131.07 24.58 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.859 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.77 158.43 56.27 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.293 1.995 . . . . 0.0 110.968 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 25.4 p-10 -85.79 143.72 28.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.173 0.511 . . . . 0.0 111.112 -176.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.36 -158.74 30.16 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.799 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 p -102.58 128.72 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -132.39 149.98 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.29 120.1 40.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 153' ' ' THR . 46.0 mt -94.78 104.83 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 p -108.33 128.65 54.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 t -150.75 124.21 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.839 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.8 pt-20 -98.35 91.36 5.17 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.894 0.854 . . . . 0.0 111.078 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.14 99.22 9.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.329 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.4 t -120.94 138.17 54.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.012 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.467 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 48.5 p90 -133.91 151.33 51.47 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.704 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 p -97.55 121.3 39.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.853 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.07 114.11 26.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 85.4 mt-30 -81.04 92.25 6.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.189 0.519 . . . . 0.0 109.912 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.0 m -100.75 108.27 20.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.369 -175.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 65.95 14.07 9.39 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.32 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 109.55 -15.97 31.86 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.774 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -92.41 109.82 21.22 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 17.0 m -81.42 99.38 8.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.303 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.9 pt -96.17 150.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.178 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 39.8 m -107.59 102.86 12.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.08 0.466 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 42.0 mt-10 -96.77 179.3 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.382 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 78.77 -150.83 34.92 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.259 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 137.58 -162.33 25.45 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.671 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 19.9 m -86.74 102.48 14.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.8 0.333 . . . . 0.0 110.175 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.46 133.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 28.5 m -125.74 117.36 23.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.251 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -109.69 127.79 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.0 103.03 11.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.419 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.92 117.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.6 m -100.79 96.72 7.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.136 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 45.2 t -87.93 104.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 p -64.39 -35.38 80.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.26 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.72 -160.08 13.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 70.2 m -81.5 60.29 4.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.821 0.819 . . . . 0.0 109.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.26 151.15 44.07 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.094 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 57.8 Cg_endo -76.51 91.4 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.102 1.868 . . . . 0.0 111.344 172.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -97.68 132.77 43.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.593 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -99.19 118.1 35.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.594 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.03 126.53 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.175 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.32 100.43 13.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 50' ' ' LEU . 48.8 tp -80.13 85.46 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.5 t -137.14 161.09 37.08 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.758 -173.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.441 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.3 ttt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.219 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -72.17 -29.42 64.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -129.31 167.15 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.791 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.25 99.32 12.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.093 0.473 . . . . 0.0 110.46 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -98.37 41.76 1.12 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -68.3 -36.01 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -150.52 -54.39 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.708 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.0 159.88 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.463 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -79.72 71.2 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 171.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 m -69.43 -43.84 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.964 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -88.05 109.38 19.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 62.8 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.036 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -85.53 145.44 27.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.86 0.362 . . . . 0.0 110.488 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -88.2 137.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -89.72 178.0 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.008 2.472 . . . . 0.0 112.349 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -86.02 -37.83 18.52 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.03 -79.49 1.45 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.524 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -60.35 114.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 111.477 -176.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -167.1 154.31 8.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.161 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -122.71 178.4 5.03 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 105.23 2.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -11.19 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.313 0.577 . . . . 0.0 110.801 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -119.11 101.55 49.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.21 -6.79 15.9 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.268 . . . . 0.0 111.84 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.509 ' OD1' ' HG ' ' A' ' 27' ' ' LEU . 17.8 t-20 -95.33 160.74 14.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.096 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 50.7 m-20 -89.77 -99.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.96 178.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.509 ' HG ' ' OD1' ' A' ' 25' ' ' ASN . 59.6 mt 70.36 122.75 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 O-C-N 123.854 0.721 . . . . 0.0 111.256 -175.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 26.3 Cg_exo -62.33 152.15 78.37 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.799 2.332 . . . . 0.0 112.701 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -101.84 -36.62 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.928 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.1 m-85 -72.55 -53.16 6.01 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -175.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 7.8 Cg_exo -73.31 29.14 0.3 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.92 2.413 . . . . 0.0 114.392 -171.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -76.52 -26.9 55.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.365 0.602 . . . . 0.0 110.107 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -76.49 -8.57 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.102 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.66 -13.52 62.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.599 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -66.4 -21.31 66.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.02 14.2 22.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.465 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.08 17.12 14.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 110.796 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 145.39 35.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.473 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -129.52 155.37 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.588 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.13 -30.87 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.196 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.13 117.75 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.823 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.08 112.64 0.35 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.49 -4.73 62.18 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.19 -1.005 . . . . 0.0 113.09 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -54.37 122.06 22.59 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.659 -0.305 . . . . 0.0 113.533 -174.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.66 127.79 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.916 0.388 . . . . 0.0 110.648 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.08 123.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 18.4 t-20 -135.43 109.52 8.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -151.84 171.81 31.24 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 119.149 -1.501 . . . . 0.0 114.3 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.58 145.99 36.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.32 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 26.3 tp -105.93 121.9 45.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 42.3 p90 -158.18 133.74 8.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.71 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.96 162.19 21.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.857 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 p -95.05 123.78 38.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.672 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -76.61 162.4 27.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.72 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.905 0.383 . . . . 0.0 111.546 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -77.54 -1.29 29.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.77 32.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.222 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.65 143.55 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.13 106.91 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.802 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -99.86 112.24 24.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.549 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.57 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 23.9 mmtp -72.9 -65.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.319 0.387 . . . . 0.0 111.39 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.81 122.62 5.12 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.895 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 115' ' ' GLN . 23.8 p -115.77 143.5 45.3 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.883 -0.186 . . . . 0.0 110.505 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER 61.19 22.5 12.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.752 0.787 . . . . 0.0 109.414 -179.557 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -85.15 134.64 34.16 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.563 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -85.67 104.63 15.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.06 0.457 . . . . 0.0 111.231 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 82.7 t -85.67 107.5 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.389 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.79 115.6 28.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.9 0.381 . . . . 0.0 111.219 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 109' ' ' ARG . 48.1 tp -93.2 107.97 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.668 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' HG22 ' A' ' 108' ' ' VAL . 33.1 mt-10 -113.56 145.05 32.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 -175.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.2 116.15 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.619 2.212 . . . . 0.0 112.278 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 129' ' ' TYR . . . -85.66 123.91 31.59 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 75' ' ' TYR . 13.9 t -156.12 -168.79 2.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -174.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 57.3 m -74.81 -11.88 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.377 . . . . 0.0 111.486 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.767 ' H ' HG23 ' A' ' 73' ' ' THR . 38.8 t80 -91.54 173.83 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.2 mmm 73.33 5.15 5.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.892 0.477 . . . . 0.0 112.036 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 74' ' ' SER . 73.5 mmtt -51.96 -70.72 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -58.02 -28.7 64.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.02 -177.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.37 -52.81 62.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -70.79 -28.21 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.12 63.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.404 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 43.3 mtpt -82.71 -31.53 28.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.515 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -115.99 -82.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.576 0.227 . . . . 0.0 110.907 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -115.76 8.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.181 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 151' ' ' THR . 96.1 m-20 -100.99 91.0 4.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 110.331 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -102.36 137.62 40.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.907 -178.795 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -76.47 132.86 39.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.212 173.69 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.34 67.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.158 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 87' ' ' ASP . . . -67.56 -23.4 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -116.64 39.92 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 111.054 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 119.61 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.34 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -89.5 117.73 68.43 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -86.18 -1.63 8.59 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.797 2.331 . . . . 0.0 112.82 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.22 -43.03 5.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.0 110.348 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.62 100.55 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.48 144.54 28.97 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.049 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 29.8 Cg_exo -62.61 117.66 4.55 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.541 2.161 . . . . 0.0 111.322 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 23.0 Cg_endo -61.64 132.02 38.4 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.68 2.253 . . . . 0.0 112.431 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.98 89.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -81.7 -23.92 36.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.553 -177.024 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.426 ' N ' HD12 ' A' ' 100' ' ' LEU . 10.2 t70 -164.58 126.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.5 -17.52 23.59 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.897 2.398 . . . . 0.0 113.427 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -71.66 -9.9 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -57.24 -30.15 64.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.8 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -17.51 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.2 m -103.9 -28.17 11.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.021 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -88.66 -21.31 24.01 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 70' ' ' GLU . 74.1 t -82.6 115.73 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.128 0.489 . . . . 0.0 110.171 177.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 69.3 ttt180 -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.679 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.08 130.79 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 0.0 111.52 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -116.39 113.14 22.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.926 172.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 64' ' ' ASN . 94.7 m -82.23 113.83 20.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.643 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 33.7 p -61.32 128.91 38.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.0 111.52 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 33.9 t70 -73.59 -177.42 2.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.97 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 62.0 tt0 -57.42 -29.76 64.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.773 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -82.29 -0.33 45.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.416 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 66.99 41.79 93.01 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.318 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 45.3 ttm180 -124.95 145.4 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -128.4 148.55 50.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.76 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -145.77 142.84 29.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.629 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.611 ' CB ' HD11 ' A' ' 124' ' ' ILE . 51.7 m-85 -135.19 114.0 11.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.893 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -96.11 148.55 22.57 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 58.81 86.34 0.09 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.185 0.993 . . . . 0.0 111.428 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.611 HD11 ' CB ' ' A' ' 121' ' ' PHE . 67.6 mt -129.29 133.7 25.45 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.329 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.13 129.13 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.126 1.884 . . . . 0.0 110.972 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.6 129.03 39.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.983 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.55 -164.55 38.04 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.089 -177.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -107.48 132.03 53.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' H ' ' A' ' 72' ' ' ALA . 94.4 m-85 -133.76 154.66 50.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.202 0.525 . . . . 0.0 111.651 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD23 ' A' ' 155' ' ' LEU . 35.5 m-85 -102.3 141.48 35.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.944 171.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 156' ' ' VAL . 48.2 mt -116.25 108.73 25.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.2 m -103.14 119.02 38.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.04 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -137.65 126.26 23.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.964 0.411 . . . . 0.0 110.704 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 151' ' ' THR . 13.8 pt-20 -103.38 102.57 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.51 0.672 . . . . 0.0 110.536 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.2 tp -111.73 118.83 36.7 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.2 p -124.92 139.08 54.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -138.91 137.29 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.803 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 9.8 m -94.34 109.1 20.97 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.198 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.93 145.57 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.646 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 90.0 mt-30 -82.52 105.41 13.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.12 0.486 . . . . 0.0 110.52 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.3 t -103.88 105.34 15.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.825 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.33 16.33 9.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.658 173.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 127.42 -33.86 3.19 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.648 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -96.52 130.59 43.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 111.165 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 12.6 m -84.26 96.5 9.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 109.885 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.75 144.17 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.671 -175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 138' ' ' SER . 34.0 m -94.01 101.97 14.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.401 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 43.5 mt-10 -83.62 178.34 8.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.547 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 111.54 -152.09 17.71 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.775 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 141.35 -161.76 26.9 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.581 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.5 p -93.24 113.19 25.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.939 0.37 . . . . 0.0 110.57 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.43 108.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.728 0.775 . . . . 0.0 109.247 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 10.9 m -105.7 110.48 22.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.507 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -112.51 137.26 50.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.422 HD23 ' CE1' ' A' ' 130' ' ' TYR . 3.2 tm? -81.79 121.45 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.395 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 131' ' ' ILE . 92.1 t -127.05 121.71 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.141 0.496 . . . . 0.0 110.316 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.3 t -103.75 133.83 48.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.91 96.22 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.2 m -99.88 -7.91 24.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -137.46 147.88 19.49 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.427 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.704 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.2 m -75.26 -30.14 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.203 0.525 . . . . 0.0 110.304 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.3 151.25 97.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.59 125.47 18.85 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 123.022 2.482 . . . . 0.0 113.869 -171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -96.49 114.84 26.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.804 172.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 62.7 tttp -80.56 115.95 20.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.469 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 60.2 t -124.1 114.81 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.539 -174.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.408 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 69.9 mt -83.29 105.5 14.29 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 171.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.3 tt -81.1 93.62 6.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.826 0.822 . . . . 0.0 109.654 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 14.8 t -155.19 123.4 5.88 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.2 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 8.5 mmm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.365 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -93.42 148.91 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.68 0.276 . . . . 0.0 110.329 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m -90.76 19.91 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.973 0.416 . . . . 0.0 110.987 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -127.01 135.59 51.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -85.5 139.48 31.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -68.8 125.61 27.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 33.4 m170 -59.67 117.59 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -174.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -88.95 -48.87 7.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -103.65 59.17 0.74 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.357 0.598 . . . . 0.0 109.844 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . 24.2 t -157.76 106.89 2.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.208 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -99.51 102.78 14.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.38 59.55 0.63 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.42 159.03 15.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.632 0.253 . . . . 0.0 110.523 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.48 78.04 63.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 0.0 111.805 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -93.35 165.44 2.4 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.223 2.615 . . . . 0.0 111.574 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -83.44 51.52 2.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.207 0.527 . . . . 0.0 110.975 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.95 13.55 64.9 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.378 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -63.74 97.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.166 0.508 . . . . 0.0 110.153 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -87.18 63.03 7.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.516 0.674 . . . . 0.0 110.538 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -146.8 130.44 16.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.02 121.12 13.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.417 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -69.21 -38.26 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.342 0.591 . . . . 0.0 109.723 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.5 t30 -149.0 100.89 3.41 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.828 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 23' ' ' ASN . 9.9 Cg_endo -52.59 -44.14 49.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.749 2.966 . . . . 0.0 113.85 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -104.79 82.87 1.94 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.201 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -82.65 -39.92 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.146 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.96 128.35 25.86 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.774 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.37 173.19 14.18 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.57 2.18 . . . . 0.0 112.171 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.12 146.98 41.2 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -72.02 116.13 45.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.996 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG2' ' HB2' ' A' ' 75' ' ' TYR . 32.3 Cg_exo -59.08 -42.31 52.43 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.51 2.14 . . . . 0.0 111.252 176.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 63.56 -73.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.669 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -59.11 -21.07 58.69 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.676 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 41.9 tt0 -62.65 -33.87 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.383 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.85 -44.36 90.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.203 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.46 -7.42 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.454 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.69 45.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -96.48 155.83 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 87.9 mm-40 -86.03 152.38 22.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -97.28 -42.69 7.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 110.149 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.15 120.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.73 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 125' ' ' PRO . . . -129.53 -164.84 11.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.865 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.52 -4.07 17.96 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.269 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.36 121.11 10.91 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.81 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.73 116.97 48.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.2 mt -109.99 110.84 33.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 90.7 m-20 -102.71 104.88 15.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -103.98 141.37 15.24 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.969 -1.11 . . . . 0.0 113.461 -171.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -116.71 109.57 17.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.548 HD13 HD23 ' A' ' 168' ' ' LEU . 25.7 tp -88.41 127.92 35.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.475 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.9 p90 -168.79 110.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.657 0.741 . . . . 0.0 110.114 173.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 135' ' ' LEU . 90.1 mt -99.41 115.25 28.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.277 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 125.48 30.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.92 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.435 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 19.7 m -68.66 162.37 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -14.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.066 0.46 . . . . 0.0 111.111 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -80.2 -11.81 59.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 8.69 62.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.243 -0.98 . . . . 0.0 112.331 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.39 133.96 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -95.79 112.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 0.0 111.651 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.46 112.44 24.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.812 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 39.5 mmtt -78.11 -3.29 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.65 85.02 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.151 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 115' ' ' GLN . 34.3 p -94.53 125.15 38.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.909 -0.171 . . . . 0.0 110.67 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.0 t30 62.58 35.88 14.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.799 0.809 . . . . 0.0 109.608 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -95.83 137.42 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.613 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -92.21 118.01 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.589 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.52 127.44 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.668 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.24 121.65 44.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tt -103.51 113.92 27.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 108' ' ' VAL . 39.4 mt-10 -115.34 146.94 37.54 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.954 -174.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.97 128.06 12.78 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.47 2.113 . . . . 0.0 112.14 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.14 105.77 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.059 0.457 . . . . 0.0 110.854 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.676 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 56.5 p -103.09 -173.6 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.38 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -78.52 -21.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.364 0.602 . . . . 0.0 109.538 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 19.9 t80 -81.84 -30.85 31.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.329 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 1.5 mmt -80.29 58.83 3.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 111.288 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -123.71 -67.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.103 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.781 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.43 -46.53 89.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.882 0.372 . . . . 0.0 110.589 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 20.5 m-85 -85.1 1.09 49.38 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.63 -28.12 28.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 169.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -85.16 -62.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.48 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -91.65 -1.1 57.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.735 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -70.56 119.23 8.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.87 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.628 ' HA ' ' O ' ' A' ' 151' ' ' THR . 31.5 m-80 52.39 59.48 4.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.329 0.585 . . . . 0.0 111.025 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.4 tt -102.58 112.83 25.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.544 0.687 . . . . 0.0 109.748 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.7 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 13.7 t70 -65.82 158.01 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.561 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.93 -26.84 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 111.256 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.87 -11.64 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 87' ' ' ASP . 28.3 mtpp -96.88 13.12 29.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.557 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 91' ' ' ARG . 9.9 mmt180 -80.57 93.53 6.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -82.65 131.16 55.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.831 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.78 -15.99 48.87 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.995 2.463 . . . . 0.0 113.753 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -97.39 -22.6 16.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.971 0.415 . . . . 0.0 110.909 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.51 97.18 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 64.4 mt-30 -97.13 137.69 21.24 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.16 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 5.9 Cg_exo -73.03 116.45 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.69 2.26 . . . . 0.0 112.106 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.56 146.0 34.03 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.852 2.368 . . . . 0.0 112.259 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.63 121.65 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.5 mt -94.54 -169.33 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -65.59 150.82 95.62 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.702 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.52 -11.17 18.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.909 2.406 . . . . 0.0 112.765 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -39.59 90.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 51.9 mtp85 -48.53 -49.46 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.354 174.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.3 -30.4 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -79.6 -42.19 25.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.684 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -95.06 -16.28 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -170.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' ARG . 69.4 t -73.6 121.93 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 0.0 110.086 176.235 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -95.94 120.72 36.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.71 128.73 47.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -123.98 144.68 49.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.8 m -108.67 111.39 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 119' ' ' PHE . 36.0 p -67.4 135.41 53.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 0.0 112.193 -172.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.732 ' HB2' ' HB2' ' A' ' 118' ' ' ARG . 8.7 m-20 -66.84 170.99 5.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.464 176.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' A' ' 63' ' ' THR . 48.6 tt0 -70.76 -18.4 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 0.0 110.56 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -92.27 15.65 13.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.109 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.0 45.43 83.08 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.616 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.732 ' HB2' ' HB2' ' A' ' 114' ' ' ASP . 1.6 mmp_? -111.6 133.25 53.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.738 -0.231 . . . . 0.0 111.438 -175.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.511 ' HB3' HG22 ' A' ' 113' ' ' THR . 50.2 p90 -145.33 126.19 14.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -119.42 115.03 23.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.458 -168.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 60.9 m-85 -113.26 142.35 45.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.861 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.04 148.69 30.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.999 -173.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.74 63.6 1.46 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.527 0.68 . . . . 0.0 111.526 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 121' ' ' PHE . 59.0 mt -122.15 127.09 26.06 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.516 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 39' ' ' GLN . 37.3 Cg_exo -62.56 160.14 33.41 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 112.545 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 158' ' ' VAL . 5.8 m-20 -69.99 136.7 50.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.731 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.3 -172.7 34.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.292 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -97.62 134.09 41.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -134.74 156.78 48.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.514 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -113.66 117.7 32.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.377 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 156' ' ' VAL . 56.5 mt -97.42 107.37 19.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 10.4 t -124.13 125.71 44.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.327 -176.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 p -137.49 134.29 35.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.34 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.17 109.21 20.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.077 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 52' ' ' LEU . 55.2 tp -132.53 111.09 10.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.711 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.495 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 38.5 p90 -146.38 175.16 10.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 145' ' ' THR . 78.0 p -123.73 125.44 44.75 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.12 137.05 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.84 129.27 34.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.035 0.445 . . . . 0.0 110.395 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.3 m -124.74 71.35 1.16 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.1 t70 58.23 81.39 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.036 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.21 -45.15 3.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.128 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -89.53 123.24 33.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.999 0.4 . . . . 0.0 110.962 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 138' ' ' SER . 2.8 m -99.36 96.79 7.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.952 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.9 pt -85.94 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.174 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.7 m -94.09 123.88 37.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.495 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 45.1 mt-10 -116.18 167.99 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 92.79 -161.01 25.59 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.606 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.46 -144.19 14.89 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' THR . . . . . 0.628 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 12.7 p -90.43 102.64 15.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.016 0.408 . . . . 0.0 110.394 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.2 p -91.53 121.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.142 0.496 . . . . 0.0 109.719 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 21.0 m -116.96 120.86 39.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.606 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -113.33 123.91 51.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.529 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 tp -84.15 106.48 15.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 131' ' ' ILE . 61.6 t -105.55 120.05 55.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 22.3 m -99.31 102.49 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.162 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 46' ' ' ILE . 41.3 t -83.99 93.36 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.9 p -108.06 23.39 14.56 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.422 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.88 158.53 31.54 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.272 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.411 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 p -97.64 10.91 38.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 0.0 110.93 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 164' ' ' GLN . 50.8 mt-30 -81.91 153.66 69.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.697 174.266 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.88 111.65 1.27 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.451 2.101 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 162' ' ' GLN . 61.2 mt-30 -105.73 120.46 41.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.849 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 79.9 tttt -83.19 113.43 20.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.12 0.486 . . . . 0.0 110.302 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.461 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 77.1 t -108.96 117.27 53.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.456 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 167' ' ' LEU . 5.4 mp -90.86 115.68 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.548 HD23 HD13 ' A' ' 50' ' ' LEU . 17.2 tp -80.81 85.07 6.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.815 0.817 . . . . 0.0 110.023 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.439 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -152.27 160.18 43.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 113.875 -1.511 . . . . 0.0 107.626 174.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.696 -174.595 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.049 -0.421 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -148.45 158.76 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.756 0.312 . . . . 0.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -122.48 154.39 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.66 121.17 9.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.466 . . . . 0.0 111.267 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -126.0 100.13 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.906 0.384 . . . . 0.0 110.087 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -108.34 98.77 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.633 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.0 t60 60.66 91.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.223 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -113.84 163.69 14.73 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -77.71 44.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.092 0.472 . . . . 0.0 111.325 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 t -99.13 -9.8 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.105 0.479 . . . . 0.0 109.769 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 p -83.86 -44.36 14.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.562 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.58 -121.25 14.5 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.785 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.588 HD12 HG13 ' A' ' 14' ' ' VAL . 2.1 pp -107.02 7.95 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.818 0.342 . . . . 0.0 111.411 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.588 HG13 HD12 ' A' ' 13' ' ' LEU . 3.3 m -130.85 75.35 78.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.205 0.526 . . . . 0.0 111.552 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -86.56 -2.71 8.41 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.701 2.267 . . . . 0.0 112.811 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.08 36.48 3.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 111.685 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.01 -74.14 1.88 Allowed Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.247 174.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 m -51.47 135.41 27.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.03 0.532 . . . . 0.0 111.389 -176.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -76.35 -41.51 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.338 0.59 . . . . 0.0 110.004 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.2 ptp -146.11 135.94 23.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.603 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.02 89.25 5.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.149 0.499 . . . . 0.0 111.318 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 p -115.33 -76.04 0.58 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.449 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 21.1 m-20 -157.02 135.81 7.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 23' ' ' ASN . 6.3 Cg_exo -75.1 21.63 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.475 2.783 . . . . 0.0 113.898 -172.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.95 103.68 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.603 0.716 . . . . 0.0 110.529 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -98.74 -48.42 4.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.739 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -134.66 149.86 71.97 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.248 -0.887 . . . . 0.0 108.865 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.93 -175.28 0.91 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.634 2.223 . . . . 0.0 112.992 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.655 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 30.6 t70 -51.8 137.61 25.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.599 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 12.5 p90 -97.38 106.52 32.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -172.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.677 ' HD2' ' HB2' ' A' ' 75' ' ' TYR . 51.6 Cg_endo -100.72 114.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.351 0 C-N-CA 123.623 2.882 . . . . 0.0 111.761 170.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.25 12.89 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.01 0.433 . . . . 0.0 110.858 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -57.8 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.049 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 73' ' ' THR . 28.3 mt-10 -65.37 -21.15 66.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.067 -173.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -73.87 -19.17 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.593 0.235 . . . . 0.0 111.35 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.38 -4.72 26.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -15.02 62.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.584 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.543 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 4.8 p -78.5 -24.74 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.525 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 58.2 -98.91 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -179.52 -52.52 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.192 0.52 . . . . 0.0 110.522 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 7.2 p -63.22 134.63 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.349 -176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 179.41 158.47 21.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.849 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.02 7.55 10.03 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.496 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.16 117.75 7.56 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.121 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.08 122.17 60.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -107.04 121.43 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.372 . . . . 0.0 110.479 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -105.49 101.95 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -108.96 132.42 11.08 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.227 -173.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -120.85 114.24 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 57.9 tp -94.47 128.33 40.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -171.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 24.3 p90 -166.38 115.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.357 0.599 . . . . 0.0 110.532 173.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 169' ' ' THR . 90.0 mt -99.36 133.07 44.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.045 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.667 -178.525 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 0.8 OUTLIER -65.08 163.34 15.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.392 176.475 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.37 -25.49 66.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.25 0.547 . . . . 0.0 109.901 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.13 -5.5 58.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.333 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.52 19.75 77.96 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.979 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 53' ' ' THR . 90.2 mt 61.75 99.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.437 0.637 . . . . 0.0 111.385 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -97.84 127.62 43.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.186 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 57.5 mmtt -74.29 -71.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.371 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.4 93.52 0.37 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.783 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.81 115.8 28.45 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.578 0.228 . . . . 0.0 110.961 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 62.56 33.66 15.73 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.282 0.563 . . . . 0.0 110.664 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -91.27 145.17 24.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.158 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -96.29 121.52 38.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.83 119.57 51.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.429 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.37 138.7 38.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 129' ' ' TYR . 58.6 tp -111.29 104.64 13.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.838 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 130' ' ' TYR . 21.6 mm-40 -97.7 144.75 28.53 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.536 -176.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 6.0 Cg_exo -78.6 129.79 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.056 2.504 . . . . 0.0 111.506 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . . . -67.81 107.59 2.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.126 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 34' ' ' GLU . 71.7 p -126.75 154.92 43.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 29.4 m -75.85 -23.73 55.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.429 0.633 . . . . 0.0 109.62 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 27.4 t80 -61.1 -38.02 84.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.732 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 79' ' ' TYR . 9.9 ttt -87.18 24.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.828 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 74' ' ' SER . 31.5 tptt -58.88 -58.37 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.094 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.28 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.779 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB3' ' HG2' ' A' ' 76' ' ' MET . 20.1 t80 -69.03 -37.87 78.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -76.2 -26.41 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.227 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.35 -51.85 13.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.551 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 20.4 mtpt -81.73 -36.44 28.6 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -104.58 -96.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.388 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.73 -116.88 5.28 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.224 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -91.75 84.21 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.273 1.035 . . . . 0.0 110.055 175.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.823 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.0 tt -104.33 113.68 27.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.288 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.966 172.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.72 -18.8 64.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.928 0.394 . . . . 0.0 110.769 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 -17.02 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.672 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 pttm -120.38 29.38 7.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.343 0.592 . . . . 0.0 110.384 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HA ' HD21 ' A' ' 86' ' ' LEU . 14.2 tpt180 -69.52 106.42 2.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.683 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.94 115.2 9.67 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.956 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -86.89 19.66 1.35 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.763 2.309 . . . . 0.0 113.144 -173.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.09 -57.9 2.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.882 0.372 . . . . 0.0 110.631 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.87 116.02 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.676 0.75 . . . . 0.0 111.758 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.41 ' HA ' HH22 ' A' ' 91' ' ' ARG . 52.2 mt-30 -95.3 162.3 25.14 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.709 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.74 114.12 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.515 2.143 . . . . 0.0 112.499 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.46 170.72 14.31 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 112.382 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -77.1 81.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.389 0.614 . . . . 0.0 110.098 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.96 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . 30.2 mt -64.14 151.74 42.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.605 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.8 m-20 -55.7 138.75 69.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.66 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -59.89 -11.63 15.78 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.833 3.022 . . . . 0.0 113.568 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' A' ' 107' ' ' TYR . 16.8 tpp180 -55.92 -40.99 73.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.101 0.477 . . . . 0.0 110.511 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.96 ' HE ' ' HB2' ' A' ' 100' ' ' LEU . 34.9 ptt85 -65.95 -33.31 75.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.5 m -91.25 -48.46 6.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.956 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' A' ' 103' ' ' ARG . 97.1 m-85 -85.5 -26.75 26.07 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' GLU . 54.7 t -68.95 118.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -108.7 125.33 51.78 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.263 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.23 148.42 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.09 124.82 31.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.3 m -82.34 120.1 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 32.7 p -63.42 135.91 57.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.542 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -68.19 173.28 4.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.231 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 36.5 tp60 -49.23 -38.8 27.67 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.183 0.993 . . . . 0.0 112.958 -175.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.483 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 7.1 p30 -87.99 8.62 25.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.289 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 74.9 51.01 8.13 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.007 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -131.84 147.64 52.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.508 -0.407 . . . . 0.0 110.765 -177.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -144.59 148.92 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.74 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.41 141.67 49.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.553 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 78.2 m-85 -129.31 148.36 51.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.454 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.09 171.29 17.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 51.5 t60 60.21 47.47 9.24 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.785 0.678 . . . . 0.0 110.3 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.1 mt -116.79 132.84 23.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.928 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.543 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.7 Cg_exo -68.55 162.94 38.75 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.961 2.441 . . . . 0.0 111.601 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -81.54 144.81 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 0.0 111.029 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.41 -175.67 29.36 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.982 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 157' ' ' THR . 13.6 p -93.56 127.24 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 69' ' ' LEU . 93.5 m-85 -124.98 155.92 38.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 72' ' ' ALA . 46.9 m-85 -101.24 108.17 19.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.174 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 156' ' ' VAL . 10.8 mt -94.29 109.59 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.2 t -113.03 126.69 55.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.199 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -130.46 120.06 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.961 0.41 . . . . 0.0 110.348 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -93.32 101.9 14.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.388 0.613 . . . . 0.0 110.191 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.3 tp -119.15 101.37 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.736 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -115.07 122.76 47.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.454 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.565 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 43.0 p90 -127.15 171.53 11.33 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.685 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 p -120.35 114.65 22.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.655 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.27 149.21 36.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.345 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -88.33 107.92 19.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.085 0.469 . . . . 0.0 110.963 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.9 t -89.41 80.87 6.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.2 t70 67.35 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.119 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -127.32 -1.69 6.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.164 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -108.58 117.79 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.628 0.252 . . . . 0.0 110.657 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 42.3 m -80.57 99.49 8.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.974 0.416 . . . . 0.0 109.885 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 pt -92.85 157.44 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.734 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.6 m -104.2 101.2 10.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.032 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.565 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.5 mt-10 -88.31 162.95 16.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 101.5 -144.04 16.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.36 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.93 -149.42 20.42 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.5 m -108.1 102.58 11.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.905 0.383 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.405 HG11 HD21 ' A' ' 52' ' ' LEU . 7.8 p -94.46 116.19 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.391 0.615 . . . . 0.0 110.051 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 58.3 m -118.04 121.82 41.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.495 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' A' ' 169' ' ' THR . 60.3 mttm -109.35 140.9 42.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.517 HD11 ' HB ' ' A' ' 128' ' ' THR . 59.4 tp -82.42 97.33 8.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 131' ' ' ILE . 89.7 t -97.39 109.82 24.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.419 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . 0.591 ' HB ' HG22 ' A' ' 128' ' ' THR . 3.2 t -95.88 105.82 17.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.769 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.15 84.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 38.6 t -73.53 -34.04 65.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.843 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.09 157.21 17.58 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.455 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.99 13.91 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.983 0.421 . . . . 0.0 111.679 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -87.45 160.9 47.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.2 111.89 1.0 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.55 2.167 . . . . 0.0 112.326 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -94.93 107.46 19.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.527 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -84.67 119.9 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.466 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 55.4 t -121.92 114.63 43.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 -176.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 94.3 mt -81.58 109.63 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.55 93.88 6.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.534 0.683 . . . . 0.0 109.527 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.528 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.4 t -153.82 -152.7 0.43 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.305 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 170' ' ' ARG . 47.9 mtm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.836 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.634 -0.587 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -63.89 -64.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t -177.79 167.89 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -106.81 -2.49 21.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -99.14 125.4 44.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.276 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -140.37 -79.81 0.28 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.024 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -172.96 95.91 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -82.67 118.94 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.121 0.486 . . . . 0.0 111.342 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -119.87 -18.69 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.867 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -56.26 114.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.692 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -134.09 88.63 2.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.881 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.84 150.95 20.95 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.976 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -77.27 -52.23 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.71 99.23 47.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.692 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.79 -19.1 7.49 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.763 2.309 . . . . 0.0 113.624 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 16' ' ' ARG . 6.8 ptt180 -132.8 154.98 49.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.523 . . . . 0.0 111.606 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.47 -33.25 1.45 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -175.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m 59.68 -86.15 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.56 0.744 . . . . 0.0 112.222 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -136.56 -36.35 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 110.462 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.2 ttp -149.56 118.68 6.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.009 0.433 . . . . 0.0 110.405 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 -157.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.215 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p 57.37 -162.1 0.21 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.908 0.883 . . . . 0.0 112.165 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -94.81 143.42 26.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.221 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.25 -34.12 78.24 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.969 2.446 . . . . 0.0 113.675 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -126.35 152.51 46.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.264 0.554 . . . . 0.0 111.251 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -102.66 97.29 7.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.253 -176.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 82.8 mt 71.05 172.09 0.1 Allowed Pre-proline 0 N--CA 1.471 0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.308 174.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.507 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 15.6 Cg_exo -66.64 -76.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.28 1.987 . . . . 0.0 113.724 -173.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -168.71 -168.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 56.99 81.32 0.26 Allowed Pre-proline 0 N--CA 1.466 0.332 0 C-N-CA 123.273 0.629 . . . . 0.0 111.268 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.15 82.46 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.011 2.474 . . . . 0.0 113.152 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 68.69 -24.14 0.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.49 -23.74 51.79 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.679 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 54.4 tt0 -62.03 -28.0 69.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 111.114 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -79.82 -7.67 58.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.425 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.53 -2.69 58.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.62 3.47 29.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 111.455 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m -86.27 84.4 7.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.944 0.402 . . . . 0.0 111.313 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -149.6 110.98 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.543 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 178.03 110.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 123.526 0.517 . . . . 0.0 110.27 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.38 138.26 23.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -126.38 -174.23 13.79 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.018 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 20.69 2.54 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.49 114.65 3.98 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.617 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 21.9 t -92.14 115.4 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 158' ' ' VAL . 28.6 mt -116.06 111.73 36.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.26 -176.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.595 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 13.0 m120 -102.35 118.93 37.92 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -103.1 119.81 6.55 Favored Glycine 0 C--N 1.315 -0.589 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.671 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' HB3' ' HG ' ' A' ' 167' ' ' LEU . 1.0 OUTLIER -96.65 108.9 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.109 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 168' ' ' LEU . 45.3 tp -93.33 134.76 35.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.112 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' HE1' HD23 ' A' ' 167' ' ' LEU . 45.8 p90 -176.06 121.82 0.17 Allowed 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.953 0.783 . . . . 0.0 109.956 169.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 169' ' ' THR . 78.0 mt -109.22 119.46 39.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.231 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -78.78 126.26 30.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -70.83 165.23 23.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -14.69 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 111.426 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.5 m -88.46 0.83 55.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.89 85.55 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.24 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.46 138.13 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -95.83 113.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -176.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -90.04 96.81 10.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 4.7 tmtt? -63.87 -29.85 71.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.919 -172.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.01 101.31 0.65 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.182 -1.008 . . . . 0.0 111.597 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 118.33 36.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.692 -0.299 . . . . 0.0 110.333 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 57.97 38.74 26.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.659 0.599 . . . . 0.0 111.114 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.7 m -83.41 137.83 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -91.58 120.93 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.882 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.8 142.78 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.208 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.67 120.34 39.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.827 0.346 . . . . 0.0 110.316 177.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -104.09 104.13 14.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.976 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.482 ' HG2' HG13 ' A' ' 108' ' ' VAL . 49.4 mt-10 -104.28 139.23 19.9 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 107' ' ' TYR . 23.7 Cg_exo -65.01 120.04 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.22 1.946 . . . . 0.0 110.944 173.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.32 103.23 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.884 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.679 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 33.1 p -104.61 164.08 12.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.743 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -68.94 -28.73 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.54 0.686 . . . . 0.0 109.355 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.52 -31.27 71.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.225 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 96.6 mmm -96.34 3.48 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.41 -43.94 92.94 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 28' ' ' PRO . . . -72.95 -25.29 60.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.238 0.542 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -76.74 -40.64 47.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.59 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.769 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.56 94.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.919 0.39 . . . . 0.0 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -85.22 -57.62 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.742 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -98.52 7.65 45.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.163 -168.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.98 -58.74 10.74 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.372 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -133.95 94.41 3.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 0.0 109.989 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 6.3 tt -124.61 119.27 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.444 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.2 150.14 49.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.782 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.28 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -21.48 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.246 0.546 . . . . 0.0 109.999 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 14.2 mmmm -88.68 -2.74 58.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.255 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -68.83 94.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.537 ' HB3' HG23 ' A' ' 95' ' ' VAL . 11.3 t70 -104.25 136.19 19.22 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.018 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 52.5 Cg_exo -56.77 -19.26 30.24 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.169 2.579 . . . . 0.0 113.473 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.86 -27.97 60.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.284 0.564 . . . . 0.0 110.361 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 92' ' ' ASP . 14.9 t -82.87 73.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.152 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 86.8 mt-30 -91.78 142.4 26.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.566 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 4.8 Cg_exo -74.97 115.25 4.23 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.884 2.389 . . . . 0.0 111.921 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 16.9 Cg_exo -68.49 157.08 63.32 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.732 2.288 . . . . 0.0 111.77 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.63 110.23 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.012 0.434 . . . . 0.0 110.449 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.28 -162.64 0.96 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.518 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 21.2 t70 -70.63 131.09 88.17 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.492 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.86 -24.66 60.86 Favored 'Trans proline' 0 N--CA 1.473 0.319 0 C-N-CA 123.28 2.654 . . . . 0.0 113.636 -176.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 68.0 mtm180 -68.88 -13.44 62.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -55.87 -34.34 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -23.52 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.369 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 m -92.67 -32.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.534 ' HB3' ' HG2' ' A' ' 71' ' ' PRO . 26.6 m-85 -83.93 -38.24 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.945 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.482 HG13 ' HG2' ' A' ' 70' ' ' GLU . 98.1 t -68.89 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.042 0.449 . . . . 0.0 110.166 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -87.71 127.09 35.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.182 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.68 130.31 48.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.14 157.23 43.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.726 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.8 m -126.21 120.29 29.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.717 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.503 HG22 ' HD1' ' A' ' 119' ' ' PHE . 70.1 p -58.94 133.73 56.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.42 -177.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -70.22 -179.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.61 -24.85 58.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -86.67 4.1 41.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.057 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.536 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 66.8 42.87 92.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.357 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.2 ttp85 -137.36 145.06 42.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.503 ' HD1' HG22 ' A' ' 113' ' ' THR . 14.5 p90 -123.23 123.92 41.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.005 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -111.87 127.51 55.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.441 ' HB3' HD11 ' A' ' 124' ' ' ILE . 92.5 m-85 -116.36 153.08 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.352 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -162.18 -177.91 6.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 173.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 77.9 m-70 63.72 28.69 14.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -174.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.505 ' C ' ' HA3' ' A' ' 42' ' ' GLY . 67.1 mt -109.61 134.54 20.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.644 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.31 178.45 5.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.768 2.312 . . . . 0.0 112.019 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -91.81 141.09 29.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.43 -167.46 35.09 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.965 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.4 p -97.27 134.8 40.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.574 0.226 . . . . 0.0 110.891 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -134.67 149.8 50.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 155' ' ' LEU . 32.0 m-85 -103.13 121.53 42.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.883 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 153' ' ' THR . 74.2 mt -97.49 104.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.0 m -111.88 142.64 44.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.09 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.414 ' OG ' HD21 ' A' ' 168' ' ' LEU . 18.2 p -157.18 143.1 17.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -109.92 105.62 14.86 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.307 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 52' ' ' LEU . 48.1 tp -125.83 111.84 15.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.1 p -121.37 137.47 54.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.201 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.486 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.2 p90 -133.59 155.14 50.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.271 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HG22 ' A' ' 145' ' ' THR . 8.8 p -98.3 123.61 42.48 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -81.1 119.12 23.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.417 0.627 . . . . 0.0 110.305 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.5 m -106.25 -146.55 0.39 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.155 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.79 84.74 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.878 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.05 -12.31 54.35 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.27 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -125.8 142.62 51.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.981 0.39 . . . . 0.0 110.646 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 138' ' ' SER . 24.3 m -100.06 106.95 18.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.7 pt -94.89 171.55 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.4 m -117.52 120.68 38.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.486 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 35.0 mt-10 -103.76 168.6 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 94.3 -162.36 24.7 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.276 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 148.4 -149.31 21.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.8 m -96.1 108.89 21.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 0.0 110.333 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.82 137.62 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.288 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 42.8 m -136.42 129.12 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 169' ' ' THR . 54.6 mttm -109.5 134.02 52.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.2 tp -87.03 105.29 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 47.3 t -104.94 115.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.685 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.5 m -93.21 99.79 12.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.958 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 46' ' ' ILE . 40.6 t -89.09 92.87 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.197 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.0 t -110.4 29.0 8.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.403 0.62 . . . . 0.0 109.841 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -150.06 137.04 5.96 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.405 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.5 m -96.52 63.93 2.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.348 0.594 . . . . 0.0 111.145 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.24 165.78 16.86 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.566 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.478 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 27.3 Cg_exo -63.14 109.99 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.774 2.316 . . . . 0.0 112.21 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -118.93 125.37 49.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.61 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 31.9 ttpt -94.56 116.88 29.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.299 0.571 . . . . 0.0 110.365 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.465 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.7 t -105.48 111.76 36.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.15 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 165' ' ' LYS . 9.0 mp -79.15 113.8 17.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.139 0.495 . . . . 0.0 110.586 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 50' ' ' LEU . 31.2 tp -81.11 100.67 9.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.822 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.492 ' HA ' HD23 ' A' ' 52' ' ' LEU . 13.0 t -163.53 -169.95 2.09 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.5 ' HG2' ' OXT' ' A' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.724 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -97.93 104.6 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -127.96 -173.34 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.981 0.42 . . . . 0.0 111.237 -174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -80.48 -159.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -66.71 89.19 0.15 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.862 0.839 . . . . 0.0 109.43 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -81.74 84.07 6.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.721 -171.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -160.49 75.48 0.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.202 172.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -115.01 135.05 54.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.648 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -66.66 124.31 22.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.311 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t 63.4 -172.56 0.17 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.566 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 t -100.7 120.79 40.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.884 0.373 . . . . 0.0 110.08 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.71 47.95 0.99 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.957 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.5 mt -90.37 83.65 5.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.935 0.398 . . . . 0.0 110.373 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -122.29 100.47 42.08 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 121.23 0.538 . . . . 0.0 110.623 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.21 106.48 2.17 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.907 2.405 . . . . 0.0 112.033 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -163.51 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.739 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.5 38.22 25.3 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.602 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -74.8 -32.06 61.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.87 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.2 m170 69.92 168.14 0.3 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.097 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 tpt -98.07 86.14 3.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.627 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.49 117.05 33.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.767 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -170.53 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.008 0.432 . . . . 0.0 110.673 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -137.94 151.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.7 -18.52 58.75 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.732 2.288 . . . . 0.0 111.936 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 75.71 -56.1 0.6 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.726 0.81 . . . . 0.0 111.9 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.75 91.84 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.739 0.781 . . . . 0.0 112.528 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt -136.19 130.38 18.29 Favored Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.516 -1.22 . . . . 0.0 107.871 166.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 57.8 Cg_exo -40.61 106.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.607 2.872 . . . . 0.0 113.783 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -85.13 -42.95 14.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.442 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.721 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 87.4 m-85 -76.12 -52.79 2.41 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.375 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 22.3 Cg_exo -65.5 123.28 11.21 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 0.0 111.434 176.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -172.11 -47.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.568 -173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -11.1 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.106 -170.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.32 -27.3 65.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -67.64 -30.19 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.46 -13.61 56.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.97 0.414 . . . . 0.0 110.705 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.69 26.95 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -80.36 148.69 30.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -101.88 142.15 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 111.202 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -103.6 -6.04 22.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.44 138.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.755 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -179.51 158.76 22.89 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.69 -1.73 22.8 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.952 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -59.46 132.4 51.72 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.208 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.1 t -119.84 120.3 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.7 mt -108.96 123.12 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.97 0.414 . . . . 0.0 110.719 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -113.46 104.87 12.71 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -114.38 140.23 16.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.678 -172.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -115.74 114.8 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 35.6 tp -93.16 115.26 27.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.73 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 30.4 p90 -159.65 118.5 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.825 172.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 169' ' ' THR . 80.7 mt -99.02 122.17 41.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.297 -174.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -74.51 125.16 27.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.339 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -80.77 171.06 15.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.957 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.73 63.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.284 0.564 . . . . 0.0 110.386 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 p -87.72 -9.28 54.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.588 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 9.15 86.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.153 -176.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.594 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -60.64 -47.57 85.63 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 67.8 mt 77.92 127.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.708 0.63 . . . . 0.0 111.539 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 20.1 mm-40 -120.94 123.19 41.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.951 173.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.602 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 25.0 mmtt -65.7 -78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.733 0.302 . . . . 0.0 111.667 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.07 73.51 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.338 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 115' ' ' GLN . 2.1 p -85.81 104.99 16.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.563 -176.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.61 71.38 0.5 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.48 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.506 HG21 ' HB2' ' A' ' 135' ' ' LEU . 15.2 m -129.84 150.55 51.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.888 -173.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 133' ' ' SER . 33.1 mttm -79.69 111.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.986 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 89.8 t -105.76 100.01 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 168.317 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.31 119.17 32.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 131' ' ' ILE . 66.2 tp -107.26 111.18 23.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.274 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.571 ' HB3' HG22 ' A' ' 108' ' ' VAL . 13.7 pt-20 -130.2 146.31 61.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.906 0.384 . . . . 0.0 110.923 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.88 141.43 58.82 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.069 2.513 . . . . 0.0 112.544 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 99.95 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.295 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.0 p -102.82 168.24 9.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 8.4 m -74.17 -30.06 62.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 77.4 t80 -68.24 -41.78 80.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.795 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 tpt -86.6 -7.42 58.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.835 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.39 -41.79 80.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.85 59.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.201 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -69.75 -46.45 65.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -73.8 -9.89 59.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.327 0.584 . . . . 0.0 109.817 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.26 -55.82 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.076 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.2 -101.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.502 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.86 -114.28 6.17 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.987 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -76.23 96.6 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 7.9 tt -124.89 106.25 9.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.135 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.526 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 15.6 t70 -67.49 163.0 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.729 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.35 64.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.691 175.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.72 60.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.096 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.558 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 51.1 mtpt -102.76 8.86 39.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.0 109.975 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' A' ' 86' ' ' LEU . 27.7 tpt180 -69.27 112.27 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.141 -174.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 12.2 t70 -118.3 123.01 29.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 97.5 Cg_endo -93.42 5.07 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.174 2.583 . . . . 0.0 113.778 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -100.6 -39.05 8.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.285 -0.26 . . . . 0.0 110.827 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.39 106.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 0.0 110.537 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 52.8 mt-30 -84.1 139.23 39.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.74 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 19.6 Cg_exo -66.49 114.22 3.0 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 110.657 172.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.72 159.99 26.49 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.859 2.372 . . . . 0.0 112.814 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.43 110.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.033 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.98 -172.66 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.681 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.6 t70 -64.03 129.31 93.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.382 -174.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -79.26 -16.8 12.02 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.893 2.395 . . . . 0.0 113.674 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -67.34 -15.47 63.71 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.546 0.212 . . . . 0.0 111.514 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.1 ptm85 -61.95 -22.9 66.02 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.787 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.27 70.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.008 0.432 . . . . 0.0 110.427 176.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -95.9 -31.23 13.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.919 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' ARG . 15.5 m-85 -75.21 -41.5 57.57 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 70' ' ' GLU . 52.2 t -74.27 119.16 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.31 124.2 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.983 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.36 124.82 47.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.858 0.361 . . . . 0.0 110.649 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.15 109.35 19.37 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.965 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 m -82.5 101.31 10.62 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 119' ' ' PHE . 12.3 p -60.29 128.01 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.748 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -66.9 171.68 5.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 0.0 109.65 174.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.3 mt-30 -57.18 -18.25 14.72 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.441 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -65.01 -30.97 71.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 111.029 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.77 6.97 75.59 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -100.56 146.32 27.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.775 0.322 . . . . 0.0 110.924 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HB3' HG22 ' A' ' 113' ' ' THR . 51.7 p90 -140.93 140.94 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.0 147.74 50.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.703 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.576 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 57.3 m-85 -141.15 150.17 42.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 176.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 2.8 p30 -150.09 -177.14 5.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.621 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 63.37 35.94 11.89 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 123.47 0.481 . . . . 0.0 109.81 -174.786 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.41 119.21 63.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.267 -175.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.62 131.69 26.78 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.14 1.894 . . . . 0.0 110.249 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -63.79 130.06 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.409 0.623 . . . . 0.0 111.364 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 -166.33 39.48 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.912 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.5 p -97.39 125.55 42.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.573 0.225 . . . . 0.0 111.239 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -130.83 148.37 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 111.338 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 155' ' ' LEU . 44.5 m-85 -101.41 120.63 40.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.003 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 69' ' ' LEU . 69.1 mt -95.92 104.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 t -111.52 113.76 26.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.435 -176.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 15.1 p -115.81 130.49 56.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -99.54 100.62 11.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.138 0.494 . . . . 0.0 110.118 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 65' ' ' THR . 59.8 tp -140.13 107.66 5.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.854 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.2 t -126.46 137.28 53.38 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.9 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -132.14 170.98 14.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.589 -175.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 p -123.12 125.31 44.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.639 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.06 151.69 30.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.71 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -109.42 117.73 34.78 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.23 0.538 . . . . 0.0 111.571 -173.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 144' ' ' LYS . 6.7 t -103.64 -173.99 2.44 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 171.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.73 98.25 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.492 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 81.93 -3.06 81.79 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.743 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 141' ' ' SER . 74.5 mmtt -127.06 108.52 11.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 47.2 m -91.13 102.19 14.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.3 pt -91.76 137.99 20.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.041 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.1 m -107.05 111.96 24.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.971 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 36.8 mt-10 -105.42 177.82 4.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.455 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.35 -136.96 16.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.299 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.68 -125.4 6.0 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.5 m -120.81 105.1 10.4 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.087 0.47 . . . . 0.0 109.77 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.4 p -102.19 128.56 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.051 0.453 . . . . 0.0 110.512 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 32.0 m -119.09 121.22 39.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -109.48 119.73 40.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.5 tp -80.64 111.67 17.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.208 0.528 . . . . 0.0 110.318 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.9 129.97 63.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.02 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.4 t -107.98 91.83 3.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.769 0.795 . . . . 0.0 110.249 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.24 98.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.1 m -96.71 -12.33 23.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -135.29 163.31 24.89 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.674 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' SER . . . . . 0.479 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.4 m -87.28 15.9 5.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.302 0.572 . . . . 0.0 110.957 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -84.39 156.64 62.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.998 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.13 111.95 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.856 2.371 . . . . 0.0 112.794 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -97.13 106.93 19.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -85.51 118.93 25.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.906 0.384 . . . . 0.0 110.108 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' VAL . . . . . 0.441 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 83.9 t -114.93 114.94 47.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.086 -176.6 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.34 106.47 18.47 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 14.3 tp -87.89 92.87 9.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.5 t -141.93 167.95 20.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.9 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 6.4 ptm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.828 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 2.1 tt . . . . . 0 CA--C 1.539 0.533 0 CA-C-O 119.798 -0.144 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.694 ' HB3' ' HA ' ' A' ' 75' ' ' TYR . 95.0 Cg_endo -84.69 149.27 11.22 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.908 1.739 . . . . 0.0 112.576 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.54 -37.13 32.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 110.358 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -88.13 155.16 52.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.809 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.13 131.12 43.97 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.769 2.313 . . . . 0.0 112.303 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -93.11 18.22 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.418 0.627 . . . . 0.0 110.43 -178.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -49.79 -22.66 1.5 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.604 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -9.79 21.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.465 ' CE1' ' HG2' ' A' ' 104' ' ' ARG . 45.5 m-85 -61.65 -41.59 97.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 0.0 110.53 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.05 21.88 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.49 -32.59 7.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.546 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -80.68 84.87 6.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.977 0.894 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -139.94 118.69 12.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.0 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 125' ' ' PRO . 23.5 tt0 178.42 110.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.02 109.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.381 0.61 . . . . 0.0 109.998 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -111.92 179.52 19.62 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.565 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.68 28.1 3.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.741 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.97 96.31 0.77 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.677 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.04 112.41 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.9 mt -104.06 126.26 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -115.86 99.65 7.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.37 131.28 10.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.97 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -107.51 120.38 42.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.77 123.57 43.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 14.5 p90 -174.74 123.02 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 121.017 0.437 . . . . 0.0 110.886 176.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 169' ' ' THR . 70.6 mt -98.91 126.45 44.59 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 127.63 34.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.454 -178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.8 t -70.14 161.24 30.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.4 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.347 0.594 . . . . 0.0 110.602 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -10.83 59.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.196 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.64 73.79 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.6 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 131.65 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.401 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.79 109.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 111.605 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.33 108.76 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 25.9 mttt -71.63 -71.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.83 85.8 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.289 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -89.7 129.85 36.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -177.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 58.78 33.69 23.23 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.691 0.758 . . . . 0.0 109.996 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 m -105.57 134.83 48.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.642 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -89.97 113.26 24.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.042 0.449 . . . . 0.0 111.647 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -89.87 109.89 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.769 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -98.22 118.7 35.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.064 0.459 . . . . 0.0 110.998 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -100.36 100.5 11.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.0 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -122.23 150.02 55.98 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.982 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 19.8 Cg_exo -66.18 143.22 70.37 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.94 2.427 . . . . 0.0 113.134 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.92 97.6 10.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.866 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -102.19 170.63 7.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.059 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -60.29 -26.32 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.876 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.694 ' HA ' ' HB3' ' A' ' 28' ' ' PRO . 56.6 t80 -60.93 -35.28 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.374 176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.648 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.94 -39.75 90.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.05 -38.24 19.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.985 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -66.9 -47.23 72.42 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.5 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.79 -35.85 81.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.612 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.15 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.244 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -74.22 -58.34 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.813 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -108.28 -84.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.22 -113.16 4.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.416 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 151' ' ' THR . 94.0 m-20 -87.03 96.18 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.0 0.429 . . . . 0.0 110.189 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 91' ' ' ARG . 2.9 tt -123.16 120.02 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.269 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.7 147.81 52.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.243 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -63.89 -18.26 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.32 -13.44 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -133.12 31.48 3.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.224 0.535 . . . . 0.0 110.142 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 8.9 tpt180 -76.0 87.11 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.775 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -81.38 124.37 80.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -95.92 11.54 1.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.329 2.686 . . . . 0.0 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.87 -39.45 5.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.781 0.324 . . . . 0.0 110.953 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.25 111.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.469 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.2 pt20 -82.94 128.7 64.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.933 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 3.7 Cg_exo -75.25 152.36 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.887 2.391 . . . . 0.0 111.652 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.7 173.74 12.14 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 111.547 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 4.0 p -71.43 115.24 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.285 0.564 . . . . 0.0 110.305 178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . 74.2 mt -82.21 149.84 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.773 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.0 t70 -62.53 125.82 86.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 12.8 Cg_exo -70.19 -17.75 35.4 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.051 2.501 . . . . 0.0 112.972 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 25.1 tpt180 -70.94 -26.54 63.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 109.867 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 108' ' ' VAL . 54.3 mtp85 -57.18 -37.73 72.56 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 174.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.09 -22.94 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -84.3 -39.21 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.922 0.392 . . . . 0.0 110.426 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -81.63 -21.42 38.26 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 104' ' ' ARG . 57.5 t -68.53 103.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.405 0.622 . . . . 0.0 110.751 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 109' ' ' ARG . 12.3 mtm180 -91.94 121.01 33.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.972 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -101.9 125.03 48.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.934 0.397 . . . . 0.0 111.418 -172.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.27 99.05 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.432 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 m -82.13 112.07 18.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.212 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 p -75.39 112.47 11.74 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.391 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.96 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.217 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.453 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.3 tt0 -135.95 -36.09 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.737 -176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.91 -18.83 64.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.513 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.32 33.06 81.21 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.25 144.31 42.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -136.46 155.61 49.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.509 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.5 152.81 48.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.025 0.441 . . . . 0.0 110.654 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.45 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 72.6 m-85 -133.09 166.45 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.465 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.19 150.03 26.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.512 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 19.0 m80 61.32 64.9 1.02 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.642 0.589 . . . . 0.0 111.987 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.08 134.23 26.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.016 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 40' ' ' GLN . 28.4 Cg_endo -65.24 160.98 39.55 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.774 2.316 . . . . 0.0 112.7 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -81.76 159.28 23.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.319 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.28 -159.3 27.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.883 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -113.46 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.24 162.32 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.558 -175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.72 124.69 52.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.456 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 153' ' ' THR . 58.4 mt -95.72 107.83 20.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 68' ' ' ALA . 15.4 p -98.77 126.72 44.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 p -149.99 120.8 7.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.22 91.34 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.17 116.6 28.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.123 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.3 t -139.76 149.86 44.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.216 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -140.83 133.47 28.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.947 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 t -112.2 104.11 12.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.212 0.529 . . . . 0.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.89 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 14.6 mt-30 -96.14 131.59 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 142' ' ' ASP . 9.1 t -120.46 117.77 28.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 141' ' ' SER . 18.7 t70 72.97 -46.74 0.66 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.859 0.724 . . . . 0.0 110.915 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -179.2 -29.19 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.213 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -93.11 142.43 27.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 110.416 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 2.4 m -83.78 106.92 15.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.167 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.7 pt -95.35 160.01 2.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -123.59 102.51 7.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.35 159.49 14.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.834 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.56 33.43 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.711 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.75 -138.27 7.25 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 40.6 p -89.4 102.08 14.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 117.228 0.514 . . . . 0.0 110.233 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 p -101.39 116.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 121.848 0.833 . . . . 0.0 110.27 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 3.2 m -117.46 122.5 43.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.464 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.715 ' HD2' ' HG ' ' A' ' 168' ' ' LEU . 46.4 tttm -109.07 130.4 55.48 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.818 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.28 106.07 12.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.23 117.66 52.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.854 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.9 t -93.21 127.24 38.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.346 0.593 . . . . 0.0 109.792 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.19 107.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.326 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 34.6 p -122.85 3.52 9.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.165 0.507 . . . . 0.0 110.306 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -99.92 115.91 5.44 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.457 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 23.9 m -82.94 -17.53 43.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.435 0.636 . . . . 0.0 109.906 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 95.8 mt-30 -95.68 162.71 23.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 92.5 Cg_exo -43.3 105.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.09 2.527 . . . . 0.0 112.772 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -95.03 103.65 15.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.4 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -78.92 117.65 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.534 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.48 137.84 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.389 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.466 HD13 ' OH ' ' A' ' 51' ' ' TYR . 34.8 mt -111.11 126.33 54.71 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.715 ' HG ' ' HD2' ' A' ' 154' ' ' LYS . 6.0 tt -106.18 98.84 8.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 176.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 52' ' ' LEU . 1.6 t -136.27 3.47 2.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.121 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.488 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 18.0 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.835 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt . . . . . 0 C--O 1.233 0.198 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.77 160.67 45.48 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.446 2.098 . . . . 0.0 111.995 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.23 94.61 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.111 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -141.99 129.09 11.36 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.914 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.79 119.29 5.82 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . 1.8 mp0 -72.65 89.24 1.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.265 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -95.45 -30.44 13.87 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.988 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' HG22 ' A' ' 73' ' ' THR . 3.2 mp0 -61.2 -32.8 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.51 0.195 . . . . 0.0 111.306 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' HD2' ' HB3' ' A' ' 32' ' ' GLU . 94.0 m-85 -69.06 -13.95 62.74 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.22 -2.57 22.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.135 0.493 . . . . 0.0 110.227 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.26 4.21 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.852 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -73.98 98.47 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 98.8 mt-30 -137.84 -165.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.322 -176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 49.6 mt-30 79.31 113.41 0.07 Allowed 'General case' 0 CA--C 1.517 -0.321 0 O-C-N 124.101 0.876 . . . . 0.0 110.678 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.39 104.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.913 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -64.03 127.96 36.35 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.789 -0.642 . . . . 0.0 113.558 -170.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.12 -2.34 16.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.723 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.64 153.26 42.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.867 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 45.8 t -124.23 125.69 70.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.351 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 67.1 mt -101.42 125.54 55.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 163' ' ' PRO . 14.3 m120 -102.77 103.47 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.593 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.19 129.11 8.87 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.842 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -117.28 119.69 35.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 168' ' ' LEU . 51.6 tp -96.71 126.2 41.7 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 2.0 p90 -170.85 109.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.914 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HD23 ' A' ' 135' ' ' LEU . 77.3 mt -98.5 134.84 40.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.752 0.311 . . . . 0.0 110.345 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 p -85.62 130.34 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.105 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -86.18 177.57 7.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.248 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.61 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 111.712 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 p -87.25 -5.1 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.856 0.36 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.73 66.76 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.416 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 157.74 27.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 61.4 mt -112.56 112.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.053 0.454 . . . . 0.0 110.922 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.3 104.55 16.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 36.8 mmtt -59.67 -65.15 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.837 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.19 93.1 2.25 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.423 -0.894 . . . . 0.0 111.362 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 115' ' ' GLN . 10.2 m -100.5 128.97 46.4 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 65.38 30.56 10.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.275 0.56 . . . . 0.0 110.798 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -89.12 143.51 26.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.637 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -97.63 119.15 35.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.317 0.579 . . . . 0.0 111.073 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.53 124.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.093 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.92 118.08 35.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.866 0.365 . . . . 0.0 110.528 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.08 109.53 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.113 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' ' HB2' ' A' ' 130' ' ' TYR . 8.3 pt-20 -119.42 145.9 39.82 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.635 -178.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 22.5 Cg_exo -65.14 124.18 12.63 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.518 2.145 . . . . 0.0 111.849 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 128' ' ' THR . . . -66.61 113.88 5.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.181 0.515 . . . . 0.0 109.853 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -128.23 142.21 51.23 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.776 -173.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 p -63.91 -23.21 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.45 -26.59 66.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.089 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.906 ' HG3' HH21 ' A' ' 104' ' ' ARG . 91.1 mmm -97.48 2.16 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -64.08 -31.26 72.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.582 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.99 24.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -62.17 -40.52 96.29 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.988 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -55.03 -34.52 63.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.163 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.91 -21.95 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.65 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.79 -38.39 19.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.118 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.15 -94.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.944 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.59 -134.41 44.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.36 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.1 p30 -81.41 87.37 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 109.999 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 87' ' ' ASP . 10.2 tt -127.09 127.84 45.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.96 -175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.0 m-20 -59.41 136.34 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.736 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.454 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -53.02 -34.18 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.27 -12.81 61.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.892 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -101.51 -6.47 23.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.598 0.237 . . . . 0.0 110.577 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -66.98 102.94 1.05 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.503 0.668 . . . . 0.0 110.188 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 26.1 t0 -92.56 123.09 62.92 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.799 -173.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 32.0 Cg_exo -59.52 -24.31 74.44 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.17 2.58 . . . . 0.0 113.033 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.505 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 13.3 t70 -62.66 -34.32 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.224 0.535 . . . . 0.0 110.517 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.2 103.16 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 20.3 pt20 -95.89 139.83 22.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.308 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 15.9 Cg_exo -68.81 124.45 11.48 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.798 2.332 . . . . 0.0 111.631 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.03 151.44 72.23 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 112.241 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 112.56 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.649 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.536 HD13 ' HG3' ' A' ' 104' ' ' ARG . 95.1 mt -85.07 173.36 10.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 13.2 t70 -75.71 139.24 70.25 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.62 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.44 -29.35 48.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.416 2.744 . . . . 0.0 113.219 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -65.2 -17.74 64.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.564 0.221 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.906 HH21 ' HG3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -56.45 -48.49 76.94 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.108 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.77 64.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.66 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.4 m -85.33 -33.74 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -94.84 -22.76 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 104' ' ' ARG . 59.5 t -76.85 99.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.93 139.73 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.676 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -112.9 121.84 45.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.11 129.83 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.3 m -90.04 127.31 36.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.4 p -67.27 139.64 57.32 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.185 0.516 . . . . 0.0 111.467 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 12.5 t70 -67.07 173.73 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.414 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.446 ' HA ' HG23 ' A' ' 63' ' ' THR . 9.8 tt0 -53.21 -35.73 60.22 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.159 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 65.3 t30 -87.97 11.65 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 72.36 18.6 78.34 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.561 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -90.87 138.52 31.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.34 . . . . 0.0 110.524 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.439 ' HE1' ' HB2' ' A' ' 50' ' ' LEU . 39.1 p90 -144.33 123.88 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.934 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -113.79 136.49 52.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.347 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 76.1 m-85 -114.87 111.86 21.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.38 168.5 10.17 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 50.5 m80 62.47 56.17 2.13 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 110.632 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 121' ' ' PHE . 50.1 mm -113.28 110.31 50.85 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.609 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -72.18 157.93 52.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.287 1.991 . . . . 0.0 110.928 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.72 130.66 41.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.153 0.501 . . . . 0.0 111.583 -177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.31 -173.52 42.47 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.138 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.498 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 m -99.42 141.84 31.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 117.229 0.514 . . . . 0.0 110.18 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.27 150.95 51.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.174 0.511 . . . . 0.0 111.99 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.665 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 28.1 m-85 -107.41 118.26 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.214 171.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.5 HD12 HG11 ' A' ' 166' ' ' VAL . 71.2 mt -95.48 107.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -114.56 121.91 44.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.9 t -145.68 141.2 27.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -104.88 102.7 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.203 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.419 HD23 ' HG ' ' A' ' 52' ' ' LEU . 50.6 tp -109.38 115.01 29.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.083 0.468 . . . . 0.0 109.828 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.9 p -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.521 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.7 p90 -139.88 152.47 46.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 145' ' ' THR . 7.1 t -105.8 123.89 48.68 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.09 142.86 45.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 -173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -85.59 123.36 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.3 t -140.26 98.23 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.082 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 65.22 41.06 4.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.941 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.24 -20.48 25.86 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.459 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.63 123.76 33.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.548 HG22 ' OG ' ' A' ' 138' ' ' SER . 1.2 m -90.43 101.49 14.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.5 pt -90.55 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.2 m -123.69 121.05 34.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.389 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.521 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 49.3 mt-10 -113.79 163.39 15.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 105.58 -162.11 14.37 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.007 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 153.86 -159.77 28.94 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.765 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 21.7 p -88.56 102.56 15.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.53 118.46 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.37 0.605 . . . . 0.0 110.06 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.7 m -103.87 118.9 37.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 168' ' ' LEU . 30.5 tptt -109.37 119.98 41.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.724 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.47 121.19 27.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 81.6 t -129.69 128.57 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.0 m -107.64 114.19 28.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.57 93.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 110.508 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.8 p -107.23 28.13 8.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 110.693 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -148.98 159.13 27.92 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.616 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 19.3 m -94.66 -26.96 16.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.012 0.435 . . . . 0.0 110.474 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.33 151.01 97.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.187 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 68.2 Cg_exo -40.91 118.49 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.938 3.092 . . . . 0.0 113.728 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.02 114.85 26.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.367 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -83.74 117.42 23.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.558 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.2 t -123.05 118.64 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.31 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.75 108.45 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.098 0.475 . . . . 0.0 110.297 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 50' ' ' LEU . 26.9 tp -88.5 82.71 6.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 9.9 t -124.84 -16.56 6.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.198 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.655 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 98' ' ' PRO . 94.1 mt . . . . . 0 C--O 1.233 0.193 0 CA-C-O 121.383 0.611 . . . . 0.0 110.39 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.15 149.17 64.03 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.918 2.412 . . . . 0.0 112.088 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -83.81 77.48 9.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.468 0.651 . . . . 0.0 110.651 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -97.46 165.02 16.42 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.877 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.41 -18.89 61.09 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 112.448 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 69.21 17.86 8.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.873 0.844 . . . . 0.0 109.699 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -91.33 -7.03 52.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.7 mp0 -67.25 -19.97 65.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.153 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.77 -22.56 65.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -88.1 4.57 44.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.44 11.82 24.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.336 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -129.11 18.8 5.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.051 0.453 . . . . 0.0 110.469 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 4.0 pt20 -98.41 23.77 8.09 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.989 -174.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -91.61 -111.75 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.03 149.35 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.94 155.63 24.49 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.507 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.65 16.02 1.24 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.054 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.01 108.99 2.73 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.045 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.46 103.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.907 0.384 . . . . 0.0 110.081 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.8 mt -93.3 122.77 45.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.931 0.396 . . . . 0.0 110.321 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -104.83 99.7 9.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.18 127.81 9.37 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.508 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.49 112.35 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 168' ' ' LEU . 30.3 tp -96.04 127.02 41.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.261 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -167.01 121.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.863 171.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 169' ' ' THR . 92.5 mt -104.08 136.4 43.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.53 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p -81.39 111.01 17.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -71.79 164.92 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.397 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.48 67.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 111.423 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -81.21 -10.43 59.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.73 26.54 71.18 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.18 -16.32 38.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.559 0.219 . . . . 0.0 111.303 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt 66.99 111.4 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.572 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 12.4 mm100 -106.19 117.05 33.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.647 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 29.1 mmtt -70.62 -70.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.061 -176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 95.62 1.46 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.554 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -92.67 113.5 25.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m120 54.67 67.38 1.02 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.462 0.649 . . . . 0.0 110.622 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' THR . 4.3 m -110.58 147.66 33.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.66 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 110' ' ' GLU . 42.3 tptt -78.13 120.25 22.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.064 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.53 112.32 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.065 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.7 115.66 30.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 131' ' ' ILE . 8.1 tt -108.78 112.27 24.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.913 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -127.48 155.81 76.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.16 133.21 39.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.043 2.495 . . . . 0.0 113.271 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -87.11 128.43 35.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.154 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 t -148.08 157.39 43.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.696 -175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -61.88 -26.4 68.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.442 0.639 . . . . 0.0 110.04 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.449 ' HD2' ' HG3' ' A' ' 76' ' ' MET . 53.9 t80 -57.23 -32.95 67.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.774 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.449 ' HG3' ' HD2' ' A' ' 75' ' ' TYR . 83.7 mtp -107.43 15.87 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.076 -175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.98 -44.51 91.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.59 81.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.685 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -68.21 -33.14 73.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.214 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.35 -33.66 55.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.81 56.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.425 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -77.98 -53.98 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.407 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.84 -85.51 0.35 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.39 -120.79 10.44 Favored Glycine 0 C--N 1.334 0.425 0 O-C-N 123.675 0.609 . . . . 0.0 112.688 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.556 HD21 ' HG2' ' A' ' 170' ' ' ARG . 32.3 t-20 -81.69 81.25 7.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.481 ' HG ' ' HG3' ' A' ' 90' ' ' LYS . 6.1 tt -102.28 116.95 33.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.501 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.33 170.75 15.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.248 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HA ' ' HG2' ' A' ' 91' ' ' ARG . . . -71.04 -18.8 62.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.844 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 35.2 pttt -111.17 39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 111.267 -178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HG2' ' HA ' ' A' ' 88' ' ' ALA . 15.4 mmt85 -72.66 113.22 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.667 174.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -99.53 113.69 65.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.32 -2.77 8.6 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.639 2.226 . . . . 0.0 112.882 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -102.82 -47.91 4.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.828 0.346 . . . . 0.0 110.23 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.2 87.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 109.762 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.27 151.44 75.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.69 120.92 8.63 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.517 2.144 . . . . 0.0 111.266 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HG3' HD11 ' A' ' 27' ' ' LEU . 37.4 Cg_endo -65.59 166.06 21.03 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.791 2.327 . . . . 0.0 112.638 -176.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.78 106.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.8 -172.93 2.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.237 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.473 ' OD2' ' HG3' ' A' ' 104' ' ' ARG . 3.6 t70 -52.62 133.6 45.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.154 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.79 -19.33 12.71 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.974 2.449 . . . . 0.0 112.765 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -72.82 -15.78 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.506 . . . . 0.0 110.325 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.473 ' HG3' ' OD2' ' A' ' 101' ' ' ASP . 39.5 mtp-105 -56.47 -29.26 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.703 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.15 21.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 111.297 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.2 m -115.22 -37.73 4.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -94.65 -14.1 25.22 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 70' ' ' GLU . 91.0 t -82.3 108.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 109.766 176.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -86.2 112.32 21.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.331 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.438 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 43.5 mt-10 -101.57 116.66 33.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -110.88 175.01 5.59 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.973 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.1 m -142.4 127.48 18.5 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.251 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.421 HG21 HD23 ' A' ' 50' ' ' LEU . 29.3 p -59.55 137.96 57.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 10.7 p-10 -54.98 -61.89 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 26.7 tt0 179.71 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.725 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -92.4 11.08 27.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.58 26.08 47.98 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.673 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -109.96 147.19 33.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.409 -0.465 . . . . 0.0 111.319 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -143.56 130.63 20.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.497 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -111.69 128.72 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.62 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 18.7 m-85 -115.77 142.69 46.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -144.1 157.85 44.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 m80 66.01 34.32 7.09 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.641 0.588 . . . . 0.0 111.751 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.95 126.77 45.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.307 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.11 159.53 38.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.149 2.566 . . . . 0.0 112.215 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.29 137.85 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.35 -144.9 11.33 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -136.29 136.37 39.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -132.85 164.64 26.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.478 ' CE1' HD13 ' A' ' 155' ' ' LEU . 50.0 m-85 -110.02 124.45 51.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.333 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 69' ' ' LEU . 63.8 mt -101.08 104.66 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -110.25 125.14 52.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -137.65 132.63 33.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.373 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -96.65 107.15 19.54 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.101 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.601 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 48.9 tp -117.61 93.22 4.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' A' ' 147' ' ' THR . 45.1 p -110.12 112.97 25.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.568 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 45.4 p90 -115.63 159.16 21.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.5 p -101.62 129.69 47.79 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.895 0.378 . . . . 0.0 111.093 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.85 124.68 43.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.891 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.31 118.52 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 0.0 111.132 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.8 t -107.02 -164.56 1.0 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.66 95.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.363 . . . . 0.0 111.262 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 70.56 -1.76 19.58 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.328 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -136.67 116.47 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.513 -0.404 . . . . 0.0 110.688 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -88.48 114.24 24.9 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.06 0.457 . . . . 0.0 109.877 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.8 pt -93.79 147.94 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 136' ' ' THR . 40.5 m -98.11 104.27 16.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.932 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 39.5 mt-10 -86.7 175.64 8.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.602 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . 0.601 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 88.65 -98.21 2.4 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.084 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.98 -157.38 25.08 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.829 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.8 m -96.15 102.61 14.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.987 0.422 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 85' ' ' ASN . 7.3 p -95.92 125.83 48.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.206 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 61.6 m -117.35 121.81 42.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.077 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -110.29 126.42 54.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.722 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.478 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.6 tp -85.43 109.26 18.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.044 0.45 . . . . 0.0 110.3 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.6 t -114.0 125.22 71.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 27.9 m -108.31 101.09 10.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.35 98.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.4 m -99.0 17.58 19.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.689 -171.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -178.93 -168.74 38.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 20.0 m -106.95 17.29 23.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.309 0.575 . . . . 0.0 110.167 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -79.39 153.33 76.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.491 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.47 103.38 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.464 2.11 . . . . 0.0 110.852 173.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.98 113.72 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -175.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.22 112.94 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.92 120.17 58.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.554 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.02 122.08 28.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.501 HD23 HD13 ' A' ' 50' ' ' LEU . 35.5 tp -88.03 100.7 13.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.472 0.653 . . . . 0.0 109.923 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.424 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -165.07 174.85 9.96 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.611 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.556 ' HG2' HD21 ' A' ' 85' ' ' ASN . 89.7 mtt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.991 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt . . . . . 0 N--CA 1.468 0.459 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 71.6 Cg_endo -85.21 120.97 2.26 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.781 2.321 . . . . 0.0 112.466 175.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -79.62 -41.05 27.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 95.0 m-85 -64.15 -54.07 42.52 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 97.6 Cg_endo -78.99 13.2 2.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.8 1.667 . . . . 0.0 113.699 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.17 63.34 4.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 111.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -96.36 1.46 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.561 165.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.23 -49.03 60.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.435 -166.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -61.76 -36.44 81.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.117 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.77 64.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.296 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.97 10.05 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 111.248 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.4 m -93.6 116.12 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.23 162.87 15.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.353 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -97.35 -14.43 21.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.549 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.34 112.5 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.571 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -164.12 169.43 38.98 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.388 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.62 13.86 4.49 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.33 123.1 10.06 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.923 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.31 111.2 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 62.9 mt -101.93 116.28 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -103.01 99.09 8.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -107.54 129.05 9.47 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.528 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.5 117.99 35.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.5 tp -92.14 129.23 38.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 38.1 p90 -170.65 114.53 0.45 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.893 172.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 135' ' ' LEU . 65.4 mt -102.18 128.18 48.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.566 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 59' ' ' ILE . 10.9 p -82.47 100.25 9.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.532 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -65.05 162.89 15.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.704 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.59 64.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.593 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.59 -20.15 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.88 20.72 72.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.616 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.02 36.97 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.853 -0.204 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.479 HG12 HG22 ' A' ' 53' ' ' THR . 60.1 mt 66.82 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.483 0.658 . . . . 0.0 111.735 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -93.68 123.16 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.433 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 6.1 mmtt -85.59 -18.25 33.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.675 -168.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.42 84.63 0.61 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.188 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -94.23 114.09 26.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.7 0.286 . . . . 0.0 110.658 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' A' ' 113' ' ' THR . 26.1 t-20 58.78 75.92 0.37 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.68 0.752 . . . . 0.0 109.855 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -130.42 144.59 51.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.099 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -85.24 121.74 28.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 111.52 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.06 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.19 146.63 25.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.857 0.361 . . . . 0.0 110.81 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 tt -126.74 122.42 34.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.6 pt-20 -134.97 150.95 74.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.79 147.15 39.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.218 2.612 . . . . 0.0 113.237 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.79 100.25 1.87 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.589 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -112.0 136.31 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.509 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.2 t -62.72 -23.89 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.197 0.522 . . . . 0.0 110.397 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 85.2 t80 -60.47 -27.62 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.989 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.3 mtp -108.42 11.81 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.97 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.081 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.44 -25.91 61.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.952 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -77.06 -42.0 40.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 153' ' ' THR . 7.1 m-85 -77.37 -10.41 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.205 -177.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.76 76.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.539 0.685 . . . . 0.0 109.277 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -84.92 -61.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.267 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 8.96 43.26 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.441 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.95 2.65 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.876 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.98 79.76 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.847 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 8.4 tt -102.22 107.94 19.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.411 0.624 . . . . 0.0 110.815 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.22 155.02 39.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.38 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.1 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.712 0.291 . . . . 0.0 111.054 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.26 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.847 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 49.0 pttt -115.73 29.35 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 86' ' ' LEU . 4.0 mmm180 -71.79 105.12 3.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.858 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.46 113.92 60.11 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.044 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.24 -3.99 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.872 2.382 . . . . 0.0 112.918 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -102.65 -48.93 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.663 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.74 114.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 mm100 -92.98 143.37 26.71 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.644 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 42.3 Cg_exo -57.76 134.0 59.95 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.792 2.328 . . . . 0.0 112.014 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 19.9 Cg_exo -66.0 161.74 38.39 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.32 100.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.376 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.34 170.29 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.72 130.45 92.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.56 -19.53 52.84 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.419 2.746 . . . . 0.0 113.827 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -59.05 -28.62 66.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.639 0.257 . . . . 0.0 111.676 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -65.67 -23.66 66.84 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.023 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.17 64.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 0.0 110.487 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -94.13 -27.75 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.726 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -93.07 -36.8 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 70' ' ' GLU . 58.0 t -73.97 101.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.346 0.593 . . . . 0.0 110.188 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.443 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -90.2 124.56 34.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.597 -178.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.74 128.91 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.348 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.11 137.86 48.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -102.48 111.67 24.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.717 0.294 . . . . 0.0 110.693 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 39.4 p -71.74 151.0 43.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.238 177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.35 -148.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -51.56 -35.31 40.45 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.385 0.428 . . . . 0.0 112.073 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -65.54 -25.08 67.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.293 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.494 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 58.39 39.2 92.5 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.49 147.64 45.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.434 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 46.4 p90 -137.04 150.78 48.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 110.419 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.92 129.51 32.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.291 0.567 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 124' ' ' ILE . 63.5 m-85 -116.5 150.0 38.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.149 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.41 174.47 14.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 71.2 m-70 59.81 42.11 17.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.554 0.692 . . . . 0.0 110.603 -174.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' A' ' 121' ' ' PHE . 57.2 mt -110.19 121.64 41.06 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.951 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 18.0 Cg_endo -61.97 146.56 96.26 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.369 2.046 . . . . 0.0 111.61 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.77 116.88 4.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.823 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.73 -177.84 48.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.937 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 65.4 m -101.61 126.19 48.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.401 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 81.5 m-85 -130.4 165.98 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.987 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -114.3 135.82 53.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.896 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 153' ' ' THR . 51.9 mt -98.88 110.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -107.77 116.73 32.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.179 0.514 . . . . 0.0 110.847 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.1 t -136.96 132.65 34.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.83 92.69 5.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.651 0.738 . . . . 0.0 110.594 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 52' ' ' LEU . 55.8 tp -114.42 108.17 16.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.93 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -125.95 151.27 47.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.434 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 37.7 p90 -146.08 152.96 40.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.406 ' HB2' HG22 ' A' ' 145' ' ' THR . 13.0 p -102.69 108.6 19.92 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.88 133.83 54.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 87.1 mt-30 -81.44 104.89 12.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -95.93 113.3 24.91 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 65.04 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.83 0.706 . . . . 0.0 110.947 -176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.76 4.16 2.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.444 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -121.02 123.56 42.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.013 0.435 . . . . 0.0 110.966 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 24.9 m -76.9 108.42 9.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.131 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 pt -105.99 157.52 6.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.691 0.281 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.5 m -105.55 113.17 26.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 38.8 mt-10 -109.94 177.06 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.155 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 98.23 -136.94 12.99 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.175 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.95 -145.94 17.61 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.596 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.4 m -109.17 102.79 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.165 0.507 . . . . 0.0 109.666 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.35 130.01 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.766 HG21 ' HE2' ' A' ' 80' ' ' TYR . 8.1 m -120.28 120.15 35.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.69 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -110.39 143.15 41.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -91.1 104.25 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.186 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.47 106.38 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.317 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 5.0 t -99.09 96.32 7.71 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.828 0.823 . . . . 0.0 110.347 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.08 86.35 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.931 -177.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -91.89 19.12 6.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.637 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -164.56 148.24 14.04 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.045 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 29.5 m -84.82 59.37 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.852 0.834 . . . . 0.0 109.946 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.27 162.35 28.55 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.864 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.89 102.29 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.281 1.987 . . . . 0.0 110.469 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.97 117.43 30.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.343 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.66 111.49 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.025 0.44 . . . . 0.0 109.946 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.519 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.7 t -119.31 107.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.385 -177.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.32 111.03 12.55 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 32.0 tp -79.75 87.9 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.774 0.797 . . . . 0.0 109.809 -178.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 13.0 t -157.48 178.77 9.92 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.007 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.249 -176.512 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.464 0.229 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -85.05 177.08 5.53 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.608 2.205 . . . . 0.0 111.534 174.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 36.4 t70 -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 36.7 m-85 109.17 -30.72 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.251 1.42 . . . . 0.0 114.795 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.58 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 20.0 Cg_exo -67.73 9.22 0.36 Allowed 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 121.843 1.694 . . . . 0.0 113.435 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -82.29 3.66 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -53.22 -37.13 61.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.255 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.56 -29.17 63.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.194 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -66.01 -26.8 67.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.289 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.44 5.07 51.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.791 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.2 18.98 10.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.025 0.44 . . . . 0.0 111.199 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -96.58 91.28 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -121.7 -167.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.992 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 44.6 mt-30 82.06 113.9 0.06 Allowed 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.861 0.864 . . . . 0.0 111.918 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -87.36 103.29 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.35 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -91.27 170.66 34.45 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.406 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 24.33 13.08 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.545 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.819 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -64.93 113.31 5.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.742 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.81 98.77 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.23 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 49.4 mt -99.52 93.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.012 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.581 ' H ' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -102.79 140.96 36.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.23 157.04 27.03 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.503 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.04 119.14 34.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 27.2 tp -94.59 129.01 41.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.592 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 34.1 p90 -169.84 130.6 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 135' ' ' LEU . 96.4 mt -118.47 141.23 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.007 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 p -89.8 134.47 34.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 91.1 p -88.22 -179.19 6.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.751 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -28.48 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -77.69 -30.21 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.942 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.56 30.96 3.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.853 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.23 140.18 32.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.17 108.91 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.176 0.512 . . . . 0.0 110.594 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 14.3 mm100 -89.47 106.36 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.779 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.638 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 14.8 mmtt -76.98 -12.05 59.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.094 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.93 83.9 0.37 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.277 -0.963 . . . . 0.0 111.515 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -83.56 105.16 14.26 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 113' ' ' THR . 15.0 t-20 59.11 72.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.524 0.678 . . . . 0.0 109.823 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.6 m -128.61 138.52 52.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.533 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -74.97 111.89 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.015 0.436 . . . . 0.0 111.86 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.72 116.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.484 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.38 134.23 47.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.733 0.301 . . . . 0.0 111.157 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -115.68 118.75 33.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.16 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -126.41 151.5 72.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 8.3 Cg_exo -72.61 146.96 44.72 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.373 2.715 . . . . 0.0 113.112 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.78 109.33 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -123.19 155.61 36.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.523 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 57.3 p -77.69 -9.54 59.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.289 0.566 . . . . 0.0 110.354 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.58 ' HB2' ' HB2' ' A' ' 31' ' ' PRO . 61.5 t80 -67.92 -35.81 79.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.7 mtp -91.61 17.35 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.343 -173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 74' ' ' SER . 49.8 mtmt -58.2 -43.47 87.64 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -69.6 -44.22 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.95 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.8 -39.09 83.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.712 ' HE1' HG21 ' A' ' 153' ' ' THR . 52.2 t80 -74.89 -23.72 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.53 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 73.8 mmtt -68.84 -56.32 8.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -122.05 -84.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.316 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.22 -128.62 42.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.188 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 151' ' ' THR . 41.0 t-20 -82.46 103.21 11.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.5 tt -138.38 127.15 23.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -170.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.463 ' CB ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 t70 -57.7 146.7 30.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.824 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.15 -24.21 67.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.67 0.271 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.05 -22.64 60.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.306 0.575 . . . . 0.0 110.506 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 87' ' ' ASP . 41.0 mtmt -100.37 7.81 44.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.699 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -73.69 107.41 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.207 -178.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -98.73 110.08 55.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.477 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -88.39 8.38 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.718 2.279 . . . . 0.0 112.9 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -91.71 -43.88 9.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.0 118.22 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.815 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.78 126.76 56.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.345 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 31.8 Cg_exo -58.56 128.37 28.06 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 111.477 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 40.8 Cg_exo -56.55 138.96 86.57 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.692 2.261 . . . . 0.0 112.149 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.33 112.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.328 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.424 HD22 ' CE2' ' A' ' 75' ' ' TYR . 56.7 mt -85.25 176.56 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.04 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 15.9 t70 -57.17 124.37 65.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.17 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 39.7 Cg_exo -58.07 -16.94 29.21 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.524 2.816 . . . . 0.0 114.314 -171.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -65.0 -20.07 66.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.0 ptm85 -63.54 -26.01 68.51 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.599 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.58 -16.32 64.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.965 0.412 . . . . 0.0 110.983 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -97.11 -34.79 11.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.77 -35.53 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.715 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 70' ' ' GLU . 86.0 t -71.17 118.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 109' ' ' ARG . 22.9 mtp180 -99.99 141.48 32.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.499 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -101.92 147.7 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.43 102.59 4.66 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.293 170.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 m -82.29 109.76 16.85 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 26.7 p -55.16 140.52 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.53 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -76.63 -171.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -74.32 -3.37 29.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.271 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.99 7.31 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.756 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 61.36 48.06 87.33 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.08 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 119' ' ' PHE . 3.6 tmt_? -136.96 144.12 43.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' ARG . 49.2 p90 -142.87 156.63 44.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 47' ' ' ASN . 4.9 p-10 -145.85 140.92 27.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.278 0.561 . . . . 0.0 110.753 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.515 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 95.7 m-85 -113.26 158.28 20.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.299 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.72 171.46 20.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.5 m170 62.5 45.51 6.28 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.528 . . . . 0.0 110.758 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 69.4 mt -129.13 138.25 32.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.229 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.559 ' HG3' ' O ' ' A' ' 40' ' ' GLN . 7.0 Cg_exo -72.57 -176.75 2.41 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.779 2.319 . . . . 0.0 112.441 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.78 155.83 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.01 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.75 -158.61 26.23 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.583 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 m -104.65 124.62 49.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.2 161.74 33.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -116.74 134.04 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 153' ' ' THR . 38.2 mt -100.39 113.69 36.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.9 m -111.2 114.43 27.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.693 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.3 m -131.41 129.24 41.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -93.62 100.33 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.277 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.43 HD23 HD12 ' A' ' 52' ' ' LEU . 46.9 tp -116.53 90.63 3.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.476 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 88' ' ' ALA . 45.2 p -115.47 138.8 50.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.507 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.4 p90 -141.53 150.48 42.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.986 0.422 . . . . 0.0 110.208 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.3 m -107.7 120.09 41.26 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 51.1 mt-30 -81.73 99.75 9.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.162 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 103.58 16.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 65.49 -77.68 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.938 0.774 . . . . 0.0 111.419 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -140.68 5.37 2.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.415 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -123.95 120.35 32.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.761 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 15.5 m -79.24 128.48 33.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.492 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 26.6 pt -119.39 141.58 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.177 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.2 m -94.38 104.23 16.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 40.4 mt-10 -101.38 165.47 11.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.547 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.31 -152.38 21.56 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.258 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 151.93 -155.35 26.09 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.199 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 10.7 m -96.94 105.31 17.43 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.07 121.1 45.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.768 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.712 HG21 ' HE1' ' A' ' 80' ' ' TYR . 13.9 m -109.74 119.79 40.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.81 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -110.67 130.03 55.67 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.99 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.7 tp -80.36 116.47 20.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 94.2 t -116.89 124.57 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.282 0.563 . . . . 0.0 111.2 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.3 t -105.59 121.83 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.954 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.28 104.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.8 t -70.21 -27.84 64.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.1 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.84 -158.35 31.13 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.338 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.819 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.5 p -73.88 -24.0 59.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.531 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.99 146.14 88.11 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.36 117.24 3.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.541 2.827 . . . . 0.0 113.639 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -103.67 110.71 22.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.6 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 63.1 tttp -96.06 116.86 29.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 0.0 110.061 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.97 116.04 48.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.654 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.32 112.84 16.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 50' ' ' LEU . 28.3 tp -81.39 93.49 6.61 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.622 0.725 . . . . 0.0 109.991 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 12.1 t -159.19 179.0 9.4 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.545 -1.207 . . . . 0.0 107.859 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 14.5 tpt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.139 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 N--CA 1.468 0.435 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 9.8 Cg_endo -51.5 144.07 33.57 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.566 . . . . 0.0 112.356 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.6 84.9 0.87 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 28' ' ' PRO . 85.2 m-85 -133.06 91.96 26.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.434 173.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 29.5 Cg_endo -65.27 166.28 19.62 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.383 2.056 . . . . 0.0 110.805 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 66.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.44 ' CD2' ' HG2' ' A' ' 31' ' ' PRO . 37.2 m-70 -95.78 -10.37 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.818 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -96.16 -30.11 13.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.551 -163.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.598 ' OH ' ' HG2' ' A' ' 76' ' ' MET . 54.7 m-85 -91.27 -48.58 6.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.157 -0.34 . . . . 0.0 110.974 -174.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.88 57.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.54 10.42 38.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 p -75.56 158.87 31.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.933 HE21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -100.45 154.43 18.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.62 16.83 19.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.115 0.484 . . . . 0.0 110.679 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.1 107.39 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.85 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.41 128.16 1.87 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.971 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.31 16.89 3.37 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.143 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -74.57 143.52 31.58 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.818 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.73 115.74 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.869 0.366 . . . . 0.0 110.255 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 70.5 mt -106.46 119.57 56.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 11.7 t-20 -121.59 118.96 30.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -132.5 149.57 19.51 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.983 -171.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.36 120.94 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.807 -0.697 . . . . 0.0 109.163 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 26.0 tp -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.529 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 26.2 p90 -164.51 125.2 2.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.285 0.564 . . . . 0.0 110.38 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -108.46 135.66 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.303 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.27 114.99 20.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.854 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.411 ' HB3' ' OE2' ' A' ' 148' ' ' GLU . 1.2 m -65.0 155.8 33.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.93 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.34 68.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.25 -1.75 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.9 35.72 85.21 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 121.367 -0.444 . . . . 0.0 113.482 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -87.27 -38.99 15.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.689 -0.301 . . . . 0.0 111.146 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 85.0 mt 69.8 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.749 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -131.26 133.58 45.58 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 32.7 mmtp -66.05 -70.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.75 102.71 1.66 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.399 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.6 p -115.61 142.44 46.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t30 64.53 21.86 12.54 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.093 0.949 . . . . 0.0 109.407 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.3 m -92.84 132.88 36.61 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.311 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -83.8 114.87 21.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.183 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.517 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 87.0 t -100.95 118.53 47.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.781 174.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.16 128.37 51.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.978 0.418 . . . . 0.0 110.633 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 tp -107.48 97.37 7.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.932 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -102.82 136.58 19.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.65 142.35 52.87 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.269 1.979 . . . . 0.0 111.697 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.82 101.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.089 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 p -122.86 152.69 40.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.201 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 m -72.09 -27.95 62.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.98 -34.92 71.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.984 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.598 ' HG2' ' OH ' ' A' ' 35' ' ' TYR . 91.3 mmm -84.53 -11.15 56.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.03 -36.46 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.26 61.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.021 0.438 . . . . 0.0 111.419 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -74.8 -27.27 60.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.057 0.456 . . . . 0.0 110.01 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -65.41 -30.19 70.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.43 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.75 -27.65 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.706 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 16.2 mtpp -75.32 -38.55 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.67 -79.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.858 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.94 -121.64 27.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.403 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.674 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.4 p30 -92.99 92.92 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.781 0.8 . . . . 0.0 109.645 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 87' ' ' ASP . 8.3 tt -123.22 121.18 35.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.528 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.633 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 m-20 -58.96 141.58 53.36 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.897 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.41 -27.59 37.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 -9.32 59.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.853 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 58.1 mttp -100.02 -4.95 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.271 . . . . 0.0 110.526 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 91' ' ' ARG . 13.6 ttp180 -69.13 114.5 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 27.7 t70 -112.79 124.43 31.77 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.7 Cg_exo -76.83 -5.46 15.97 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.97 2.447 . . . . 0.0 113.446 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.515 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 26.8 t70 -88.26 -31.13 19.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.438 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' NZ ' ' A' ' 82' ' ' LYS . 16.9 t -77.2 75.9 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 109.644 175.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 47.8 mt-30 -55.41 135.8 69.84 Favored Pre-proline 0 C--O 1.236 0.361 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.798 -173.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.706 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 55.6 Cg_endo -94.95 126.66 0.41 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.7 2.933 . . . . 0.0 111.968 171.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 7.1 Cg_exo -73.79 151.11 45.55 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 111.792 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.63 126.73 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.056 0.455 . . . . 0.0 109.877 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.9 mt -104.48 179.47 4.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.481 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 7.7 t70 -52.0 136.75 37.41 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.243 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.57 -25.34 6.73 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.041 2.494 . . . . 0.0 113.72 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -70.22 -21.82 62.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.992 0.425 . . . . 0.0 110.803 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 101' ' ' ASP . 23.0 mtp-105 -47.93 -46.25 31.89 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.16 -5.58 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.754 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -92.61 -35.56 13.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 0.0 110.069 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -88.7 -33.57 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.007 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' ARG . 58.3 t -76.92 107.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.726 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -73.82 130.6 40.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.13 113.17 26.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -115.19 127.44 55.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.708 0.29 . . . . 0.0 110.878 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.5 m -86.87 121.3 29.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.195 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.8 p -68.25 141.24 55.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 111.449 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.53 -167.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.77 0.795 . . . . 0.0 111.106 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.37 -27.75 63.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.948 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -89.77 3.87 51.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.01 52.01 9.57 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.685 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.544 HH11 ' HB2' ' A' ' 118' ' ' ARG . 0.5 OUTLIER -130.53 147.84 52.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 38.6 p90 -129.08 139.19 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.082 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.48 126.2 54.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.495 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 17.8 m-85 -125.96 138.59 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 0.0 111.406 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -139.08 165.92 25.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.686 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.26 37.26 23.73 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.419 0.45 . . . . 0.0 111.722 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 158' ' ' VAL . 45.9 mm -84.98 121.84 74.22 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.164 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 124' ' ' ILE . 13.9 Cg_exo -70.08 168.97 20.45 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.881 2.387 . . . . 0.0 112.112 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -79.2 116.97 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.65 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.57 -170.98 39.92 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 11.9 t -113.84 138.71 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.049 0.452 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -132.87 164.06 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -113.17 126.2 55.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.852 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 153' ' ' THR . 57.2 mt -94.14 104.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.1 p -108.2 130.09 55.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.117 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 4.7 p -151.59 146.49 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.659 0.266 . . . . 0.0 111.368 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.562 ' HG2' HG22 ' A' ' 151' ' ' THR . 46.5 mt-10 -102.02 103.85 14.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.557 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.512 ' HG ' ' HZ3' ' A' ' 137' ' ' TRP . 37.8 tp -120.13 111.03 17.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.9 p -141.04 130.68 24.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -174.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.512 ' HZ3' ' HG ' ' A' ' 135' ' ' LEU . 44.5 p90 -139.99 151.56 45.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 p -94.54 128.66 41.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.025 0.44 . . . . 0.0 111.143 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.92 159.56 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -107.93 113.74 27.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.672 0.272 . . . . 0.0 110.427 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.1 t -87.62 -76.05 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.281 0.562 . . . . 0.0 110.443 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.17 63.84 1.41 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.088 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 76.48 -8.37 27.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.595 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -105.87 130.13 53.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 19.9 m -84.09 111.44 19.32 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.0 pt -98.97 153.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.281 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 13.6 m -99.32 99.9 10.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 54' ' ' SER . 6.5 mm-40 -81.45 108.52 15.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.043 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 133.15 -164.35 24.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.35 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.66 -157.98 29.18 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.7 p -91.0 112.45 24.36 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.15 132.91 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 6.8 p -120.44 116.4 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.741 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -109.67 121.36 45.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.964 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 66.3 tp -80.27 112.92 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.026 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.6 t -121.11 123.98 71.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 25.0 m -107.59 119.54 39.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.214 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 124' ' ' ILE . 42.7 t -97.25 123.12 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 4.07 50.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.519 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 159.92 -149.83 19.67 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.016 -1.087 . . . . 0.0 113.012 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.516 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.2 m -91.64 9.68 31.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.081 0.467 . . . . 0.0 110.999 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 163' ' ' PRO . 2.3 mp0 -78.82 138.01 57.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.278 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 162' ' ' GLN . 21.0 Cg_exo -64.93 124.23 12.79 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.705 2.27 . . . . 0.0 112.039 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.6 120.18 37.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.106 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 82.4 tttt -92.46 120.44 32.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.95 130.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.825 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.3 111.9 20.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 22.2 tp -82.14 90.08 6.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.99 0.9 . . . . 0.0 110.051 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 -178.09 5.99 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.437 ' HD2' ' OXT' ' A' ' 170' ' ' ARG . 6.0 ppt_? . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.91 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.03 144.15 21.04 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.541 2.16 . . . . 0.0 112.288 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -82.39 93.53 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' ' HD1' ' A' ' 75' ' ' TYR . 64.4 t80 -118.14 134.34 23.36 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.211 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 7.7 Cg_endo -50.69 135.67 41.86 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.581 2.854 . . . . 0.0 113.042 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -77.47 32.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.653 -174.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.95 -16.31 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.637 0.256 . . . . 0.0 111.55 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.15 20.22 18.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.881 0.372 . . . . 0.0 111.086 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 28.9 3.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.397 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -105.69 23.35 14.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.813 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 125' ' ' PRO . 45.5 mt-30 61.34 -163.79 0.25 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.19 -63.42 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.45 99.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.218 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -101.78 174.94 24.97 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.254 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.65 8.97 0.88 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.22 150.38 23.69 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.477 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -118.58 118.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.87 112.25 28.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.683 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -102.36 99.01 9.05 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -110.03 121.59 6.05 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.161 -173.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 17.2 m-20 -104.07 120.97 42.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 40.4 tp -102.01 130.61 48.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.894 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 30.7 p90 -166.45 125.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 135' ' ' LEU . 91.4 mt -112.27 136.2 52.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -84.31 118.34 24.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.685 175.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -65.01 155.96 32.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.147 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.37 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.187 0.518 . . . . 0.0 110.277 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -77.24 -10.87 59.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.263 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.09 64.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.746 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -141.47 147.43 37.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 99.1 mt -104.89 101.89 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.424 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 15.1 mm100 -103.67 123.27 46.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.452 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 27.8 mmtp -66.49 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.455 0.472 . . . . 0.0 111.63 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 50' ' ' LEU . . . 169.31 79.32 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -95.37 113.25 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 60.92 52.76 4.03 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.725 0.774 . . . . 0.0 109.308 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -110.97 131.02 55.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.077 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 27.4 ttpt -81.12 116.58 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.055 0.455 . . . . 0.0 111.063 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.66 114.85 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.28 113.06 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.385 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.8 tp -98.99 101.94 13.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.158 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 8.2 pt-20 -116.83 148.6 42.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.256 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.6 Cg_exo -72.99 136.79 25.51 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.005 2.47 . . . . 0.0 112.951 -177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.26 117.84 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 p -135.52 173.38 11.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 m -69.39 -45.4 69.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.929 0.395 . . . . 0.0 110.354 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 30' ' ' PHE . 92.0 t80 -60.54 -37.21 80.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.346 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.472 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 1.5 tpt -76.37 -24.0 54.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.786 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.69 -41.24 90.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.91 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.76 -37.66 59.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.424 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -61.36 -36.45 80.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.42 -20.24 65.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.503 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -84.36 -47.8 10.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.342 . . . . 0.0 111.741 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.78 13.16 18.44 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.79 108.83 2.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.166 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.9 p30 43.27 72.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.804 0.811 . . . . 0.0 111.914 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.8 tt -106.01 128.07 53.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.604 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . 13.9 t70 -62.69 144.03 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.407 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -65.23 -27.09 68.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 111.648 -176.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.18 -6.5 59.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 110.791 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG3' ' HB3' ' A' ' 87' ' ' ASP . 9.4 mtmm -106.21 12.95 29.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 109.656 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HA ' HD21 ' A' ' 86' ' ' LEU . 29.0 tpt85 -73.26 102.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.774 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.406 ' OD1' HG23 ' A' ' 95' ' ' VAL . 12.2 t70 -68.78 118.2 58.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.94 -7.56 20.12 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 113.735 -171.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.35 3.36 25.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.639 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' ' 92' ' ' ASP . 48.6 t -104.06 90.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 pm0 -91.84 149.4 38.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.957 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 22.4 Cg_exo -65.24 115.17 3.17 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 111.311 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.7 Cg_exo -62.64 163.78 20.37 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.161 2.574 . . . . 0.0 112.677 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.2 t -74.44 94.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.66 177.28 8.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.16 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' HD2' ' A' ' 103' ' ' ARG . 14.3 t70 -69.03 132.69 90.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.752 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.2 Cg_exo -60.66 -8.84 9.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.653 2.902 . . . . 0.0 114.374 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.501 ' HD2' ' OD1' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -59.84 -27.15 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.96 0.346 . . . . 0.0 110.523 175.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -54.83 -40.96 70.13 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.11 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.19 -10.79 59.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.856 0.36 . . . . 0.0 111.25 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.43 -34.03 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.72 -22.33 12.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -84.28 128.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.838 0.351 . . . . 0.0 110.571 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -99.66 112.53 24.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.164 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.77 114.63 28.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -119.97 167.29 12.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.209 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 96.4 m -115.47 120.49 39.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.7 p -65.04 136.62 56.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.988 0.423 . . . . 0.0 111.3 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.03 172.24 9.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -57.11 -20.09 23.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.199 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -81.24 -3.06 51.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.554 0.216 . . . . 0.0 111.264 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.98 49.85 38.59 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -135.72 140.12 44.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.439 -0.381 . . . . 0.0 111.149 -171.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 43.4 p90 -128.62 137.33 51.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 169.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.93 121.92 22.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.136 -169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 124' ' ' ILE . 62.6 m-85 -133.73 136.77 44.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.482 ' OD2' ' HD2' ' A' ' 123' ' ' HIS . 6.2 p-10 -127.82 -177.94 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 171.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.482 ' HD2' ' OD2' ' A' ' 122' ' ' ASP . 15.8 m-70 65.13 27.55 12.36 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -175.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 121' ' ' PHE . 49.6 mm -93.27 122.06 63.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.238 -171.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HB3' ' HB2' ' A' ' 39' ' ' GLN . 17.3 Cg_exo -67.55 165.91 25.72 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.908 2.405 . . . . 0.0 111.327 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -98.11 115.11 27.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.01 0.433 . . . . 0.0 110.84 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.5 -168.11 38.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.9 p -97.05 130.31 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.73 0.3 . . . . 0.0 110.793 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.77 154.6 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.046 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -105.36 118.07 35.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.03 105.47 17.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 9.6 t -109.47 135.24 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.924 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.9 m -147.13 129.11 15.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.608 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -90.08 91.81 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 109.964 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.615 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 40.1 tp -110.05 109.83 20.52 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.9 p -134.4 129.94 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.239 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.615 ' CZ3' ' HG ' ' A' ' 135' ' ' LEU . 28.2 p90 -136.27 140.52 43.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.966 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 17.9 p -88.26 122.24 31.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.234 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.13 128.64 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.577 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 23.8 pt20 -82.44 106.66 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.337 0.589 . . . . 0.0 110.394 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 p -112.31 115.68 29.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.367 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.6 t70 62.12 26.03 15.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.84 -22.28 38.88 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.195 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -94.81 118.87 32.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.2 m -83.44 116.66 22.62 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.636 -176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.27 152.92 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.9 m -87.25 93.68 9.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.15 120.94 21.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.076 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.63 -152.59 16.81 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.732 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 150.64 -158.81 27.85 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 25.0 m -92.3 102.53 15.03 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.6 p -90.26 131.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.885 0.374 . . . . 0.0 110.167 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.88 109.58 11.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.056 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -110.09 134.44 52.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.251 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.87 121.37 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.175 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.1 t -123.53 136.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.5 t -111.86 110.69 21.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.641 0.734 . . . . 0.0 110.513 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.35 108.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.369 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.8 m -134.64 36.3 3.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.376 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.16 148.8 19.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.305 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 22.4 p -98.48 16.55 21.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.334 0.588 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.465 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 52.5 mt-30 -123.59 163.28 35.61 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.626 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 96.4 Cg_exo -44.17 109.61 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.238 2.625 . . . . 0.0 113.63 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -95.22 112.87 24.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.561 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.95 103.75 9.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.449 . . . . 0.0 110.294 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.51 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 60.0 t -115.25 119.01 60.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.493 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 90.7 mt -92.07 108.79 20.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 50' ' ' LEU . 39.4 tp -80.53 96.42 6.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 0.0 109.46 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 13.8 t -160.66 145.95 14.56 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.49 ' C ' ' HE ' ' A' ' 170' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 91.2 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 6.5 Cg_exo -72.73 115.96 4.54 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.678 2.252 . . . . 0.0 111.526 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -70.3 -37.54 74.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -172.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -81.86 -39.99 0.96 Allowed Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.629 ' HG2' ' HB2' ' A' ' 28' ' ' PRO . 76.8 Cg_exo -55.04 1.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.839 2.359 . . . . 0.0 115.067 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.52 -11.84 54.63 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.948 -0.47 . . . . 0.0 110.447 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -59.36 -25.25 64.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.008 173.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.512 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 20.6 tt0 -73.54 -10.97 60.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.917 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.65 -1.38 18.68 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.53 9.08 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 111.003 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.79 6.76 32.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.351 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -99.03 146.99 25.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.606 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -122.66 155.51 36.24 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -96.54 0.44 50.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.71 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -78.07 94.18 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.293 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -150.84 140.67 8.07 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.05 20.79 35.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.883 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.63 140.98 25.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.404 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.13 111.06 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 124' ' ' ILE . 67.5 mt -93.45 122.2 44.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.747 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 14.0 m120 -114.47 103.6 11.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -116.25 139.34 15.2 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.309 -172.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -120.99 130.9 53.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 168' ' ' LEU . 50.3 tp -101.57 123.5 45.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.721 -175.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' HB3' ' HD2' ' A' ' 61' ' ' LYS . 28.7 p90 -162.73 116.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.305 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 169' ' ' THR . 83.0 mt -105.7 149.27 26.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 0.0 110.996 -177.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.04 122.29 27.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.929 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -76.76 163.15 27.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.838 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.71 68.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.565 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 p -81.0 -2.97 50.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.441 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.68 32.15 25.19 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.251 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.25 156.33 18.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.52 107.76 23.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.885 0.374 . . . . 0.0 110.437 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.411 HE22 ' HB3' ' A' ' 137' ' ' TRP . 10.1 tt0 -104.84 125.74 51.2 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.5 mmmp? -73.0 -69.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.764 0.316 . . . . 0.0 111.581 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.31 101.2 2.23 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.192 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.4 m -109.89 138.58 46.06 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 61.39 32.24 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -101.72 130.1 48.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -84.84 118.06 24.26 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.263 0.554 . . . . 0.0 111.641 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.01 119.72 42.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.747 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.36 116.42 28.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -99.63 100.89 11.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 108' ' ' VAL . 44.2 mt-10 -114.75 133.52 22.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.353 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 21.7 Cg_endo -61.62 131.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.961 2.441 . . . . 0.0 112.659 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.46 83.59 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.382 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.512 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 58.6 p -92.39 -176.67 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.983 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 p -68.14 -34.54 76.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.547 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.49 -39.1 71.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.494 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 81.1 mmm -74.03 -17.36 60.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.175 -177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 50.7 tptt -63.46 -42.42 98.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.345 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -73.64 -40.0 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.633 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -64.16 -37.63 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -66.62 -34.19 77.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.742 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.07 63.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 47.9 mtpt -84.85 -22.79 29.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.12 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -130.27 -82.54 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.242 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.56 -139.75 21.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.374 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.505 ' HB3' ' H ' ' A' ' 153' ' ' THR . 7.6 p30 -97.0 120.0 36.52 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -142.77 125.0 15.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 111.782 -171.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.41 146.19 49.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.542 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.32 64.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.667 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.28 -23.3 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 111.224 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -120.42 33.09 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.37 0.605 . . . . 0.0 110.457 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 86' ' ' LEU . 22.8 tpp85 -69.64 106.64 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.273 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.6 t70 -74.84 119.5 77.09 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 -177.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 86.7 Cg_endo -96.61 12.88 1.06 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.256 2.637 . . . . 0.0 112.325 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.43 -48.86 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 105.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.938 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 29.7 pt20 -85.55 136.35 37.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.034 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 6.5 Cg_exo -74.04 119.35 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.795 2.33 . . . . 0.0 111.506 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 22.4 Cg_exo -66.48 155.3 70.81 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.958 2.439 . . . . 0.0 112.266 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -70.05 105.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.762 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -87.1 169.2 12.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.292 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 12.9 t70 -62.02 135.86 94.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.373 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 46.2 Cg_exo -58.36 -13.69 17.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.758 2.972 . . . . 0.0 114.265 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 21.5 mmt85 -55.59 -26.42 43.72 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 111.181 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -58.52 -34.37 70.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.589 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -19.59 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 111.212 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.65 -38.13 10.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 46.6 m-85 -85.84 -32.47 21.71 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 70' ' ' GLU . 84.5 t -74.94 106.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.577 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -94.32 129.16 41.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.96 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.79 124.57 51.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -111.23 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.397 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.5 m -93.18 119.48 32.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.391 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.528 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 67.3 p -64.18 127.54 31.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -78.52 -95.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -97.79 -68.0 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.691 -171.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.09 6.38 16.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.375 . . . . 0.0 111.005 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.528 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 82.8 54.73 3.15 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.435 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -137.28 152.33 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -155.53 164.99 37.93 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.322 0.389 . . . . 0.0 110.264 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.24 158.5 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.699 0.285 . . . . 0.0 110.78 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -140.86 140.24 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.051 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -110.96 165.35 11.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.6 m80 63.01 70.72 0.54 Allowed 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.59 0.556 . . . . 0.0 111.178 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 50.2 mm -121.95 108.39 34.68 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.818 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.493 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 16.3 Cg_endo -61.06 137.48 71.97 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.168 1.912 . . . . 0.0 110.845 173.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -66.22 131.05 45.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.791 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.54 -163.57 36.28 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.713 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.5 p -104.23 132.99 49.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 111.084 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 95.7 m-85 -135.69 151.43 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.79 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.405 ' CE1' HD13 ' A' ' 155' ' ' LEU . 22.2 m-85 -101.97 110.73 22.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 156' ' ' VAL . 20.1 mt -94.35 107.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -115.06 136.37 53.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.113 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.0 m -138.56 139.79 38.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.462 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.04 91.65 8.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.485 . . . . 0.0 109.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.4 tp -125.65 96.55 4.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.562 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.411 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.4 t -131.34 142.98 50.17 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.704 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.411 ' HB3' HE22 ' A' ' 60' ' ' GLN . 44.2 p90 -138.24 155.35 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.224 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -108.25 146.07 33.39 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.824 0.345 . . . . 0.0 110.636 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.11 51.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.108 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -92.19 102.44 14.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.931 0.396 . . . . 0.0 110.4 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -107.6 127.71 53.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.675 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.16 -78.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.744 0.653 . . . . 0.0 111.154 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.94 19.87 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -133.71 159.57 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.3 m -93.55 113.39 25.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.808 0.337 . . . . 0.0 110.164 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.8 pt -98.18 162.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.503 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.9 m -113.57 123.83 50.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.403 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 54.1 mt-10 -118.24 119.96 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.884 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.84 179.28 24.46 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.121 -1.038 . . . . 0.0 112.579 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 165.8 -133.21 2.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 p -84.14 102.81 12.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.029 0.443 . . . . 0.0 110.222 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.66 97.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.75 0.786 . . . . 0.0 109.634 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 8.2 m -101.11 111.47 23.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.07 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -109.67 135.26 50.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.355 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.3 tp -80.27 107.83 13.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.066 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 131' ' ' ILE . 98.9 t -107.28 135.81 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.308 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.3 m -123.89 108.72 12.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.704 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.1 96.68 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -86.64 -29.81 22.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.259 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.57 15.72 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.368 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 6.0 m -82.62 56.51 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.408 0.623 . . . . 0.0 110.432 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.491 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 23.7 mt-30 -135.63 172.65 6.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 53.4 Cg_exo -53.87 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.237 1.958 . . . . 0.0 111.953 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -106.46 104.61 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.65 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 28.9 ttpp -82.16 110.83 17.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.501 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.9 t -105.96 113.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.383 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.92 102.99 15.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.717 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 50' ' ' LEU . 29.0 tp -81.75 94.66 7.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.534 ' HA ' HD23 ' A' ' 52' ' ' LEU . 15.3 t -156.82 172.93 17.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.534 -173.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.569 175.43 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp . . . . . 0 N--CA 1.455 -0.201 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.49 163.19 35.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.592 2.195 . . . . 0.0 112.652 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.1 82.72 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.9 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 86.2 m-85 -141.77 137.66 16.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.141 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' PHE . 6.9 Cg_exo -73.78 170.77 19.26 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.162 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -79.5 7.52 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -62.99 -22.27 66.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.03 -30.43 71.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.231 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.87 -22.4 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.07 10.93 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.927 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.91 17.76 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.685 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 126.09 27.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.805 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.521 ' HB2' ' CB ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -82.27 -175.86 5.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.949 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -135.84 -54.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.204 0.526 . . . . 0.0 111.519 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.22 126.26 39.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.076 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 125' ' ' PRO . . . -174.92 138.58 4.41 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.129 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.99 33.85 5.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.889 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.22 83.86 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.735 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 66.4 t -82.42 110.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.5 mt -111.36 117.7 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -102.29 106.89 17.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.633 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.22 130.86 9.84 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.984 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.0 115.92 29.13 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 168' ' ' LEU . 32.5 tp -94.17 133.64 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.239 -173.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -170.97 124.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.356 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -110.99 150.43 29.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.01 132.82 36.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.643 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 t -81.63 157.22 24.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.716 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 -8.66 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.135 0.493 . . . . 0.0 110.706 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 m -93.4 -0.14 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.43 41.85 19.72 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.424 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.88 152.39 36.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.39 116.63 46.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 111.18 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 9.3 mm100 -94.29 123.26 37.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.963 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mmtt -82.88 -63.47 1.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.042 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.66 95.09 1.07 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.347 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -96.2 110.08 22.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 56.31 70.24 0.66 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.843 0.83 . . . . 0.0 109.367 -173.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -123.92 134.19 53.58 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.517 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -90.49 126.03 35.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.473 0.654 . . . . 0.0 112.59 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 60.4 t -102.42 116.88 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.259 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.2 123.13 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -100.61 99.44 10.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.86 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -108.29 141.7 23.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.009 0.433 . . . . 0.0 111.383 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 38.2 Cg_endo -67.09 131.62 25.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.013 2.475 . . . . 0.0 112.985 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -73.54 112.65 9.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 p -139.01 164.01 30.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.224 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.6 m -67.67 -23.67 65.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.94 0.4 . . . . 0.0 110.315 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.28 -41.41 96.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -80.38 -27.64 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.428 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -52.35 -51.4 59.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.655 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.0 66.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.88 -36.18 56.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.097 0.475 . . . . 0.0 110.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.668 ' HE1' HG21 ' A' ' 153' ' ' THR . 50.9 t80 -67.21 -32.7 73.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.076 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.77 68.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.988 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.33 -64.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -94.79 -93.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.06 -135.02 37.11 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.076 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 151' ' ' THR . 4.9 p30 -76.14 114.4 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.029 0.442 . . . . 0.0 109.834 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -148.65 132.66 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.307 -173.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -62.51 143.45 57.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.409 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.01 -22.12 66.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.717 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.54 -12.87 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.447 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.556 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 48.3 pttt -127.04 20.01 6.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.283 0.563 . . . . 0.0 109.678 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -79.47 93.32 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.656 -178.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.45 118.39 61.9 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.165 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.73 -10.71 7.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.619 2.213 . . . . 0.0 112.59 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.78 -43.98 11.47 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -74.12 90.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.376 0.608 . . . . 0.0 109.936 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.05 149.0 49.27 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.17 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 9.9 Cg_endo -53.4 150.59 26.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.375 2.717 . . . . 0.0 112.698 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 9.9 Cg_exo -71.72 -163.49 0.14 Allowed 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 123.069 2.513 . . . . 0.0 112.168 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.5 t -75.57 103.33 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.84 0.353 . . . . 0.0 110.13 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.1 164.0 13.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 17.8 t70 -72.64 127.9 89.19 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.339 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.84 -6.63 11.44 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.792 2.328 . . . . 0.0 112.915 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -83.96 -6.96 59.52 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 110.377 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' ASP . 15.9 mtm105 -57.43 -30.37 64.93 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.081 175.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.48 62.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.9 m -95.23 -39.57 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -79.94 -35.07 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.866 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -77.16 129.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.444 ' NH1' HG12 ' A' ' 124' ' ' ILE . 64.9 mtp180 -90.99 130.45 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.876 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.88 118.7 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.13 116.72 31.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.5 m -94.89 130.35 41.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.486 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.2 p -66.7 124.11 21.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.664 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.02 -60.36 3.43 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.849 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -163.27 -56.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.771 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 17.4 m120 -86.92 31.49 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.675 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.437 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 53.8 57.33 16.52 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.42 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 118' ' ' ARG . 39.8 ttp180 -135.66 150.86 49.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 48' ' ' GLY . 28.2 p90 -145.72 124.21 12.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.268 0.556 . . . . 0.0 109.739 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -111.4 124.03 51.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.953 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.546 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 50.2 m-85 -105.13 144.06 32.44 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.45 150.25 30.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.217 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.8 m80 60.37 67.41 0.85 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.292 0.568 . . . . 0.0 110.716 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.444 HG12 ' NH1' ' A' ' 109' ' ' ARG . 43.2 mt -129.0 125.02 22.71 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.882 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.534 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 20.6 Cg_endo -61.36 133.69 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.307 2.004 . . . . 0.0 111.207 174.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -65.87 146.62 54.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.22 -176.36 35.22 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 5.5 t -96.26 130.84 43.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.052 0.453 . . . . 0.0 110.484 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 97.6 m-85 -140.0 159.44 42.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 155' ' ' LEU . 45.6 m-85 -105.43 126.97 52.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.957 174.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 153' ' ' THR . 64.5 mt -94.2 104.24 15.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 m -114.97 117.41 30.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.001 0.429 . . . . 0.0 110.59 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 13.2 p -134.19 133.34 40.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -100.33 100.88 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.048 0.451 . . . . 0.0 110.069 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 54.0 tp -108.83 102.0 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 p -115.14 138.17 51.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 42.9 p90 -145.66 157.01 44.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.6 m -102.13 132.31 48.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.918 0.39 . . . . 0.0 110.438 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 170.83 10.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.785 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -104.88 122.18 45.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.728 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.6 t -92.57 -88.98 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.601 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -111.68 15.97 20.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.556 0.693 . . . . 0.0 109.608 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 124.61 -18.85 7.15 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -88.46 145.12 25.95 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.9 m -92.91 112.67 24.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.1 pt -106.37 151.08 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.726 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.0 m -96.7 110.56 22.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.164 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.409 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 38.7 mt-10 -97.12 178.14 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 85.13 -134.11 12.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.585 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.31 -158.26 16.99 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 16.5 p -88.93 103.24 15.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.105 0.479 . . . . 0.0 110.218 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.91 123.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.948 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.668 HG21 ' HE1' ' A' ' 80' ' ' TYR . 10.1 m -117.19 128.07 54.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -110.83 119.35 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 130' ' ' TYR . 61.9 tp -80.86 116.9 21.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.32 130.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 3.4 t -118.07 94.59 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.482 0.658 . . . . 0.0 110.252 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 46' ' ' ILE . 64.9 t -80.1 96.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.046 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.3 m -108.32 61.46 0.61 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.554 0.692 . . . . 0.0 109.744 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 173.59 -158.57 27.88 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.369 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 49.7 m -143.91 29.81 1.34 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 111.067 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.61 150.52 37.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.897 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.6 Cg_exo -60.0 105.74 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.449 2.099 . . . . 0.0 111.134 174.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -99.31 111.45 23.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 165' ' ' LYS . 6.5 ttpm? -79.02 117.51 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.632 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.633 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.9 t -125.38 127.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.358 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.923 0.392 . . . . 0.0 110.038 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.497 HD23 HD13 ' A' ' 50' ' ' LEU . 34.7 tp -81.79 85.08 6.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.775 0.798 . . . . 0.0 109.314 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.0 t -137.78 174.08 10.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.666 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.41 HH22 ' CG ' ' A' ' 87' ' ' ASP . 56.9 ttt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.526 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.118 0.485 . . . . 0.0 110.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.9 -168.89 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.244 2.63 . . . . 0.0 112.712 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t70 -139.03 164.48 29.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 45.3 m-85 105.8 -50.22 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 125.207 1.403 . . . . 0.0 114.125 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.615 ' HD2' ' C ' ' A' ' 29' ' ' ASP . 50.4 Cg_endo -68.52 52.98 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 122.354 2.036 . . . . 0.0 113.445 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.61 -28.48 37.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.289 0.566 . . . . 0.0 110.537 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -72.85 -7.43 50.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.509 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.37 -20.82 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -68.17 -29.81 68.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.28 8.74 38.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.59 -16.62 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.781 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -90.65 -29.78 17.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.536 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 66.93 -164.6 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -122.24 -30.98 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.02 112.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 0.0 110.931 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -157.22 148.78 18.95 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.707 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 37.18 3.74 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.375 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -82.5 137.73 17.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.118 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.14 120.81 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 65.3 mt -116.81 127.81 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.765 0.316 . . . . 0.0 111.021 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.06 107.76 18.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.562 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -113.99 122.47 5.75 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.075 -1.06 . . . . 0.0 113.728 -171.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.46 124.56 48.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 168' ' ' LEU . 30.9 tp -105.28 125.54 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 29.4 p90 -161.03 113.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.464 0.65 . . . . 0.0 110.285 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 HD23 ' A' ' 135' ' ' LEU . 93.1 mt -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.352 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -91.29 132.76 35.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 28.4 p -73.57 161.88 29.86 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.2 -10.3 53.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.656 0.741 . . . . 0.0 109.511 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 t -79.53 -15.15 58.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.359 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.74 32.87 8.24 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.897 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.7 121.99 40.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 110.712 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -89.34 121.8 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 21.3 mm-40 -106.64 125.99 51.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.706 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 27.4 mmtp -76.12 -21.89 56.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 178.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.38 84.57 0.81 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.71 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -99.48 137.24 38.25 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.7 t30 54.65 49.73 17.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.927 0.87 . . . . 0.0 109.439 -173.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -119.91 125.57 48.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.834 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 110' ' ' GLU . 81.8 tttt -94.34 119.04 32.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.196 0.522 . . . . 0.0 110.941 -173.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.29 138.48 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.461 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.61 112.19 22.51 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.44 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 109' ' ' ARG . 53.4 tp -95.97 110.47 22.68 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.769 ' HG2' HG22 ' A' ' 108' ' ' VAL . 36.9 mt-10 -117.52 143.32 31.96 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.052 -172.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 27.3 Cg_exo -64.37 147.65 90.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.792 2.328 . . . . 0.0 111.894 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.08 69.07 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.41 0.624 . . . . 0.0 109.995 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 133.14 47.3 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.645 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 t -52.14 -35.96 49.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 110.953 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.04 -44.81 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mmm -77.12 -18.53 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.684 -175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.31 -40.97 87.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.21 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.834 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.68 -40.22 96.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.427 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 37.8 m-85 -85.13 3.46 38.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 112.053 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.55 -29.62 46.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 164.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' ' 82' ' ' LYS . 30.5 mmmt -85.1 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.067 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -102.84 22.45 13.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.896 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -75.81 -68.95 1.45 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.971 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -111.18 93.79 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.018 0.437 . . . . 0.0 109.839 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.8 tt -136.83 113.4 10.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.574 -175.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.56 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . 3.4 m-20 -62.92 151.81 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.58 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.99 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.5 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.634 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 91.7 mttt -88.83 -3.3 58.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.463 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -61.9 103.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 95' ' ' VAL . 23.1 t70 -103.64 132.77 20.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.264 -177.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -12.18 32.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.028 2.485 . . . . 0.0 113.555 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -91.65 -17.28 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 110.15 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 92' ' ' ASP . 31.2 t -94.84 93.18 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.05 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 91.7 mt-30 -104.86 135.39 19.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.563 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 8.3 Cg_exo -72.41 121.31 7.36 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.858 2.372 . . . . 0.0 111.988 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.6 163.82 37.41 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.075 2.517 . . . . 0.0 112.17 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.31 117.0 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.7 170.43 8.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.479 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.471 ' OD1' ' HG2' ' A' ' 103' ' ' ARG . 13.0 t70 -68.89 136.53 89.85 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.898 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 35.4 Cg_exo -61.22 -5.08 4.61 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.567 2.845 . . . . 0.0 114.45 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.736 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 1.4 mmp_? -55.44 -29.45 58.67 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 110.047 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -57.14 -38.08 72.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.318 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.95 -8.66 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.2 m -116.2 -44.73 2.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.375 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.699 ' HE2' ' HD3' ' A' ' 103' ' ' ARG . 64.8 m-85 -77.16 -20.57 55.32 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.769 HG22 ' HG2' ' A' ' 70' ' ' GLU . 78.9 t -78.27 106.18 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 33.7 mtp180 -77.6 123.78 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 0.0 110.235 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 31.5 mt-10 -102.46 131.48 49.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.48 -175.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.83 155.99 47.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.9 m -117.25 127.12 53.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.973 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.447 HG22 ' HD1' ' A' ' 119' ' ' PHE . 24.2 p -68.91 141.14 55.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.97 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.5 -174.95 5.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.697 0.284 . . . . 0.0 110.692 176.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -60.65 -26.93 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.552 HD22 ' HB2' ' A' ' 118' ' ' ARG . 8.2 t30 -75.88 -11.51 59.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.706 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.06 40.37 51.22 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.552 ' HB2' HD22 ' A' ' 116' ' ' ASN . 79.1 ttt180 -137.37 153.34 50.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.154 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.447 ' HD1' HG22 ' A' ' 113' ' ' THR . 41.7 p90 -147.77 167.48 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.909 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.45 143.44 26.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 53.6 m-85 -120.07 154.72 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.982 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.99 159.39 42.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.337 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.495 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 36.2 t-80 64.0 58.17 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.427 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.487 HG12 HH11 ' A' ' 109' ' ' ARG . 67.2 mt -129.07 129.5 23.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 141.71 95.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.305 2.003 . . . . 0.0 111.1 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.29 133.74 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.323 0.582 . . . . 0.0 111.754 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.7 -174.39 43.34 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 63.3 m -82.93 132.91 35.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.094 0.447 . . . . 0.0 110.701 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 86.1 m-85 -135.27 168.78 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.328 0.585 . . . . 0.0 111.224 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -120.04 131.73 55.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.542 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 81.7 mt -101.06 104.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 m -98.7 129.17 45.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.81 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.1 m -143.55 127.93 17.84 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.881 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.23 91.36 7.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 52' ' ' LEU . 53.7 tp -119.65 102.82 8.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.498 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.1 t -131.02 143.9 51.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.194 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -146.8 164.12 33.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.141 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.0 m -96.89 125.04 41.05 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.826 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.16 124.1 51.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.487 . . . . 0.0 110.511 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -84.04 101.03 11.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.891 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.9 t -106.74 107.45 18.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.268 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t70 66.13 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.904 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.16 -1.35 2.29 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.886 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.14 141.83 47.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.098 0.449 . . . . 0.0 110.537 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 2.1 m -87.53 114.39 24.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 27.4 pt -93.69 145.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.4 m -86.92 103.15 15.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.15 0.5 . . . . 0.0 110.174 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 6.5 mm-40 -98.87 142.33 30.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.97 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.04 -166.79 41.07 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.661 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 146.7 -138.55 7.43 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 26.3 m -88.09 106.88 18.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.89 0.345 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.79 121.71 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.077 0.465 . . . . 0.0 110.125 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 29.3 m -110.3 121.79 46.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.902 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 167' ' ' LEU . 61.4 tttp -109.42 125.94 52.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.1 tp -80.13 120.07 23.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.335 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.78 122.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.891 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 87.6 m -87.53 105.05 17.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.317 0.58 . . . . 0.0 109.801 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.9 89.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.696 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.4 m -108.42 8.43 27.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.449 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 164' ' ' GLN . . . -91.69 94.14 1.9 Allowed Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.794 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.549 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.1 t -71.93 -28.54 63.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -84.27 158.51 60.81 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 170.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.59 101.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.935 2.424 . . . . 0.0 112.735 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.452 ' HB2' ' HA3' ' A' ' 160' ' ' GLY . 58.3 tt0 -96.45 112.58 24.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.566 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -84.55 115.99 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 110.728 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.562 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 64.0 t -116.23 117.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.914 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.491 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 6.6 mp -89.61 109.53 20.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.118 0.485 . . . . 0.0 109.914 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 50' ' ' LEU . 38.0 tp -77.34 98.72 5.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.676 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.428 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.5 t -167.36 170.9 11.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.438 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.773 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.237 0.411 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.1 -163.05 0.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.806 2.337 . . . . 0.0 111.38 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.601 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 t70 -78.44 -171.41 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -112.37 91.82 17.6 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 122.134 -0.354 . . . . 0.0 111.306 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 31.5 Cg_endo -97.79 115.59 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.704 2.936 . . . . 0.0 112.026 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -85.51 -6.27 59.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.317 0.579 . . . . 0.0 109.928 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -53.36 -41.24 65.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.528 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.9 -28.91 69.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.559 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB3' ' HE2' ' A' ' 107' ' ' TYR . 89.9 m-85 -85.17 -29.57 24.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.11 -20.83 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.68 31.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -100.47 -178.72 3.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.461 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -152.67 156.87 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -111.47 -11.3 14.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.83 95.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.615 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -151.74 146.56 15.44 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.759 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.69 17.7 6.07 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.96 135.04 25.88 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.081 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -108.74 106.3 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.8 mt -100.49 111.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.203 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 14.0 m120 -103.45 115.99 31.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.655 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -117.3 122.13 5.35 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.917 -172.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.55 109.26 21.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 168' ' ' LEU . 37.9 tp -88.04 132.84 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.739 0.304 . . . . 0.0 110.927 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' A' ' 59' ' ' ILE . 43.7 p90 -171.15 126.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.965 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.3 134.18 55.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.666 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -82.99 126.78 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.235 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 m -74.79 158.95 32.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.681 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -10.23 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.433 0.635 . . . . 0.0 110.154 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 p -93.15 8.87 38.36 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.493 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.85 64.08 3.07 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.768 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -148.57 163.18 38.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 51' ' ' TYR . 53.1 mt -109.59 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.118 0.485 . . . . 0.0 111.425 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 15.5 mm100 -94.65 109.63 21.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 169.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -75.85 -25.97 56.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.58 86.24 0.99 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.63 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -104.89 129.47 53.24 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 62.22 40.83 11.18 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.641 0.588 . . . . 0.0 110.135 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 m -112.92 136.88 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.364 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.29 120.95 26.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.214 0.53 . . . . 0.0 111.807 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.81 116.7 43.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.433 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 109' ' ' ARG . . . -102.4 126.42 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tt -116.28 129.71 56.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 108' ' ' VAL . 6.2 pt-20 -138.96 155.44 72.96 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.798 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 16.5 Cg_exo -68.27 136.3 36.82 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.048 2.499 . . . . 0.0 112.614 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.16 106.22 9.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -100.78 166.92 10.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -77.58 -22.43 50.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.681 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -73.75 -37.45 65.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.5 -3.54 34.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.476 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -55.84 -42.53 75.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -68.39 -46.22 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.161 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -63.93 -35.48 80.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.483 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' HE1' HG21 ' A' ' 153' ' ' THR . 90.2 t80 -62.83 -35.6 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 178.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.93 61.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 31.2 mmmt -72.84 -44.82 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.133 0.492 . . . . 0.0 110.319 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -124.69 -82.11 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.762 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.82 -128.17 42.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.929 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.0 p30 -80.34 78.14 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.914 0.864 . . . . 0.0 109.904 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 91' ' ' ARG . 6.9 tt -106.14 114.79 29.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.157 -174.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.12 149.53 47.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.562 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.89 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.8 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 55.7 pttt -107.44 27.9 8.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . 16.3 tpp180 -67.51 101.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.1 t70 -77.04 119.76 78.84 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.903 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.0 Cg_endo -82.62 -9.0 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.785 2.323 . . . . 0.0 112.663 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.14 -43.44 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.624 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.63 110.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.42 0.629 . . . . 0.0 110.833 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -96.59 147.86 33.57 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.069 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.81 115.99 2.91 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.319 2.013 . . . . 0.0 111.63 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.38 174.94 11.31 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.875 2.383 . . . . 0.0 112.93 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.43 102.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.57 178.18 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.245 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.7 p-10 -73.42 156.74 88.71 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.972 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 2.6 Cg_exo -77.19 -8.91 17.7 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.883 2.389 . . . . 0.0 112.23 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -75.52 -25.69 57.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.007 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.2 mmp_? -44.44 -67.66 0.26 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.646 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -4.31 7.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.077 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.9 m -88.0 -43.7 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 0.0 110.448 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' A' ' 35' ' ' TYR . 65.7 m-85 -94.5 -21.31 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.82 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 99.1 t -68.47 114.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 75.2 ttt180 -101.37 130.82 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.415 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.61 122.61 47.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.092 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.65 117.34 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.484 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 m -82.32 120.1 24.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.583 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.522 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 28.4 p -62.95 149.04 45.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.99 -164.27 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.476 0.655 . . . . 0.0 111.643 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -58.36 -35.58 72.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.707 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -77.97 -68.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.522 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 141.54 42.67 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.755 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 ttt180 -121.32 154.02 36.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -141.62 137.16 31.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.738 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -125.68 134.5 51.8 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.516 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 67.9 m-85 -116.8 150.25 38.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.44 168.17 20.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 21.6 t-80 65.76 38.69 5.1 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.728 0.775 . . . . 0.0 110.356 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 46' ' ' ILE . 1.6 mp -100.42 120.52 56.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.574 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.447 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 36.7 Cg_endo -69.0 152.6 73.2 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.259 1.973 . . . . 0.0 111.2 174.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -67.44 142.62 56.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.799 0.333 . . . . 0.0 110.42 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.12 -177.57 27.24 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.588 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.4 m -101.29 132.26 46.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.961 0.38 . . . . 0.0 110.908 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 81.0 m-85 -133.93 162.1 32.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.092 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.49 ' CE1' HD13 ' A' ' 155' ' ' LEU . 55.9 m-85 -110.04 120.77 43.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.219 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HG21 ' A' ' 156' ' ' VAL . 59.2 mt -97.33 104.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 49.8 m -114.61 119.19 35.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 152' ' ' VAL . 37.5 t -125.33 131.87 52.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -96.06 91.31 5.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.39 0.614 . . . . 0.0 110.171 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -111.41 101.88 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.447 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.8 t -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.201 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.48 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 49.4 p90 -132.22 170.07 15.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.978 -175.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.5 p -117.4 123.41 46.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.51 137.34 53.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 67.5 mt-30 -85.47 110.51 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.04 0.448 . . . . 0.0 110.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.3 m -102.86 104.29 14.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 55.62 41.81 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.335 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.34 32.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.732 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -94.86 110.13 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.3 m -70.52 112.69 6.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.2 pt -106.0 152.2 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.1 m -99.11 112.21 24.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.268 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 37.7 mt-10 -104.19 150.3 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.6 178.12 45.32 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.361 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.12 -145.1 9.35 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 18.1 m -84.08 102.48 12.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 132' ' ' SER . 10.4 p -94.58 132.08 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.413 HG21 ' HE1' ' A' ' 80' ' ' TYR . 20.9 m -114.51 121.07 42.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.049 0.452 . . . . 0.0 110.852 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -109.54 117.25 33.47 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.379 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.0 tp -80.03 113.29 18.08 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.485 HG21 HD12 ' A' ' 131' ' ' ILE . 76.0 t -121.93 122.89 67.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 13.6 t -112.26 121.02 43.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.457 0.646 . . . . 0.0 109.579 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.41 112.69 27.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.222 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.1 p -66.62 -45.39 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.857 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -159.65 -167.63 20.54 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.352 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.459 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.5 m -83.91 58.24 4.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -120.15 167.08 13.33 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.047 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 107.47 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.73 2.287 . . . . 0.0 111.529 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -104.05 103.46 13.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.079 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.37 116.28 22.95 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.655 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.7 t -124.59 111.32 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.328 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.7 112.21 19.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 50' ' ' LEU . 29.8 tp -79.69 82.7 5.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.947 -177.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.1 t -140.41 -158.97 0.91 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.833 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 170' ' ' ARG . 7.2 tpt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.393 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.458 -0.043 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' ' 31' ' ' PRO . 34.8 Cg_endo -93.68 140.77 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.378 2.718 . . . . 0.0 112.739 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.62 -17.7 59.03 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 111.24 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.0 m-85 -61.5 -56.68 31.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -175.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 84.3 Cg_endo -79.53 21.41 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.135 1.89 . . . . 0.0 113.937 -172.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -86.7 40.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 0.0 109.764 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -95.75 0.88 52.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.96 -19.53 27.12 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 104' ' ' ARG . 11.7 m-30 -67.5 -30.43 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.249 0.477 . . . . 0.0 110.715 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 8.16 31.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.402 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.71 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -80.54 109.98 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.73 -179.63 7.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 68.53 103.85 0.05 Allowed 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.119 0.887 . . . . 0.0 110.47 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.37 130.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.399 0.618 . . . . 0.0 111.527 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.96 -164.89 15.45 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.149 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.26 3.99 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.129 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.25 101.24 1.23 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 50.6 t -82.92 106.42 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -93.43 106.13 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 3.9 t-20 -128.7 133.88 48.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.395 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -178.06 -163.9 30.41 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.534 -1.317 . . . . 0.0 113.194 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.58 155.53 45.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.648 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.649 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 23.4 tp -117.53 130.12 56.22 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.676 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 38.4 p90 -167.99 129.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 169' ' ' THR . 91.7 mt -119.75 125.6 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.41 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.533 HG23 HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -82.34 123.79 29.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.096 0.475 . . . . 0.0 110.61 174.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.611 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 13.5 p -80.59 164.22 23.07 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.194 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.0 -20.51 65.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.615 0.721 . . . . 0.0 109.268 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -74.03 -7.32 52.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.832 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.01 24.18 53.23 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.096 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.84 136.39 53.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.667 0.27 . . . . 0.0 110.649 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 53' ' ' THR . 97.5 mt -89.66 119.23 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.359 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 16.0 mm100 -100.65 108.95 20.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.845 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 17.9 mmtt -69.67 -16.68 63.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.743 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.33 94.48 0.22 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -107.14 132.29 53.19 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.12 26.64 13.96 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.141 0.496 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -91.71 138.19 31.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.301 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 5.2 mptp? -86.82 115.68 24.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.96 0.409 . . . . 0.0 111.222 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 86.1 t -93.75 105.25 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.45 108.45 21.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 130' ' ' TYR . 10.2 tt -104.63 112.68 25.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HG22 ' A' ' 108' ' ' VAL . 14.0 pt-20 -129.76 162.74 51.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.64 135.44 45.35 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.1 2.534 . . . . 0.0 113.613 -174.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 100.68 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.012 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.9 p -109.45 171.15 7.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 7.8 t -71.06 -30.54 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.291 0.567 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -68.9 -40.12 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.543 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -74.46 -32.8 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.756 -175.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 74' ' ' SER . 64.1 pttt -62.9 -26.68 68.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.645 0.26 . . . . 0.0 111.424 -176.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.26 67.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.109 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.76 -40.05 88.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.632 ' HE1' ' HB ' ' A' ' 153' ' ' THR . 72.1 t80 -61.08 -33.42 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.57 91.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.927 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.836 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 7.8 mmpt? -85.0 -53.53 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.385 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.08 80.85 1.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.676 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.13 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -111.51 106.61 15.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -134.8 121.49 20.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.946 -173.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -57.42 144.14 37.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.375 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.311 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.8 84.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.415 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 4.9 pttm -94.95 27.68 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.032 0.444 . . . . 0.0 110.958 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.568 ' HA ' HD21 ' A' ' 86' ' ' LEU . 8.1 tpt180 -72.31 107.5 4.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.719 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.39 118.98 71.07 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.831 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.75 -2.3 8.23 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.864 2.376 . . . . 0.0 113.146 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.05 -49.97 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 109.945 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.98 97.08 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.762 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -88.37 146.9 38.78 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.408 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 54.2 Cg_exo -52.4 132.18 43.56 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.06 2.507 . . . . 0.0 112.426 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.4 Cg_exo -58.36 142.92 98.01 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.139 2.559 . . . . 0.0 112.676 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -71.63 115.45 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.262 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' NH1' ' A' ' 104' ' ' ARG . 87.6 mt -97.2 167.62 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.574 ' OD1' ' HG3' ' A' ' 103' ' ' ARG . 12.5 t70 -72.15 140.52 82.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.999 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.71 -10.92 10.35 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.542 2.828 . . . . 0.0 114.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.578 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 78.3 mtt180 -49.95 -48.51 51.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 176.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 ptm180 -58.67 -39.54 80.95 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.921 0.391 . . . . 0.0 111.317 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -76.09 -39.06 56.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.6 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -84.83 -9.76 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.713 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 104' ' ' ARG . 42.9 t -69.95 118.95 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.021 0.439 . . . . 0.0 110.558 177.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.668 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.0 147.78 29.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.272 0.558 . . . . 0.0 110.962 -178.06 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -139.68 152.97 47.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.598 -176.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.7 m -96.94 115.89 28.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 p -56.59 141.39 43.39 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 112.011 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.41 168.53 8.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.575 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.37 64.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.363 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -95.35 19.91 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.541 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 56.86 60.48 8.94 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.196 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -137.32 150.47 47.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.38 135.42 42.64 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.145 0.497 . . . . 0.0 110.71 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.81 108.99 12.52 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.06 143.53 45.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.818 0.342 . . . . 0.0 111.673 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 7.8 p-10 -159.26 -174.44 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 64.2 m-70 70.4 30.72 3.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.791 0.436 . . . . 0.0 110.416 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.8 mt -121.17 127.42 26.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.399 -0.188 . . . . 0.0 111.123 -170.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.65 149.26 79.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.458 2.105 . . . . 0.0 111.256 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 3.2 p-10 -68.75 150.62 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.896 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.08 -172.32 33.38 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.683 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.5 p -94.24 128.01 40.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.654 0.264 . . . . 0.0 110.783 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -131.09 158.84 39.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.976 0.417 . . . . 0.0 111.188 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 26.3 m-85 -111.27 128.9 56.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.043 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.416 HG23 HG13 ' A' ' 67' ' ' VAL . 52.9 mt -101.84 104.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -105.48 127.06 52.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.1 p -147.76 120.9 8.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.914 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 37.7 tt0 -90.1 91.24 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.846 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 52' ' ' LEU . 48.5 tp -105.56 100.83 10.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.28 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 t -134.18 144.66 48.62 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.987 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.9 p90 -147.52 142.92 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.704 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.1 m -84.38 111.87 19.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.55 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -91.63 116.41 28.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.2 p -72.61 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.277 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -115.87 14.26 16.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.763 0.792 . . . . 0.0 108.911 174.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.32 -25.98 2.59 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.853 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -85.14 131.09 34.49 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -93.6 110.69 22.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.033 0.444 . . . . 0.0 110.293 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.7 pt -109.88 140.23 29.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.606 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 7.9 m -81.47 95.47 7.09 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.92 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.611 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 4.4 mt-10 -84.26 164.74 18.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.526 -177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.02 -149.36 31.05 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.777 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 147.89 -164.73 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.037 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 2.2 m -85.23 102.62 13.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.25 119.66 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.523 0.678 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.632 ' HB ' ' HE1' ' A' ' 80' ' ' TYR . 17.0 m -114.91 123.55 49.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.515 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -109.41 135.34 50.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.748 0.309 . . . . 0.0 110.433 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.9 tp -80.26 124.03 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.016 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.72 127.52 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.97 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.0 m -112.01 107.88 17.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 40.3 t -104.76 98.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.5 t -101.1 6.75 43.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.89 0.376 . . . . 0.0 110.8 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -141.77 157.88 26.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.471 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.7 m -87.83 35.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.046 0.45 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -119.12 154.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.061 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.1 Cg_exo -60.25 110.06 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.743 2.295 . . . . 0.0 112.692 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -96.96 127.2 42.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.437 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 12.0 tptt -84.51 121.56 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.835 0.35 . . . . 0.0 110.075 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.604 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 52.7 t -119.22 114.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.124 0.488 . . . . 0.0 110.882 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.13 112.29 24.1 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 22.0 tp -85.09 95.92 9.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.373 0.606 . . . . 0.0 110.1 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.425 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.6 t -155.26 169.64 23.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.727 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.133 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 98' ' ' PRO . 91.1 mt . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 121.33 0.586 . . . . 0.0 110.421 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.09 148.37 62.81 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.837 2.358 . . . . 0.0 111.882 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.08 105.21 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.147 0.499 . . . . 0.0 111.692 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.542 ' H ' ' HE1' ' A' ' 75' ' ' TYR . 66.2 m-85 -127.37 149.51 70.06 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 173.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.76 -169.91 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.624 2.216 . . . . 0.0 112.413 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -79.58 3.67 18.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -63.38 -41.01 98.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.225 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -68.98 -37.54 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -70.54 -32.81 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.85 -2.33 57.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.04 -4.88 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.531 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.6 p -79.09 74.54 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.339 0.59 . . . . 0.0 110.777 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -121.93 108.28 13.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.133 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -162.65 98.86 1.0 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 -177.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 t -74.31 102.64 2.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.023 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.42 146.1 17.61 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.514 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.4 44.06 1.66 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.786 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.22 104.94 1.36 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.539 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.24 105.95 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 158' ' ' VAL . 50.5 mt -106.25 119.82 56.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.958 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.455 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -103.96 117.45 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.994 175.037 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -115.18 123.01 5.8 Favored Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.049 -174.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 167' ' ' LEU . 3.1 m-20 -110.56 112.16 23.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 25.2 tp -95.07 132.47 39.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.462 ' HE1' HD12 ' A' ' 167' ' ' LEU . 21.2 p90 -161.74 127.28 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 170.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.46 132.39 54.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.599 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 117.31 22.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.361 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.437 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 5.0 m -64.28 154.63 34.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.782 177.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.59 67.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.415 0.626 . . . . 0.0 109.822 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -73.68 -19.33 60.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.895 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.95 47.06 2.14 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.631 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.72 149.09 47.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -103.12 108.86 25.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 120.978 0.418 . . . . 0.0 110.613 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -105.95 117.03 32.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 33.0 mmtp -66.93 -72.15 0.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.45 97.45 0.18 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.663 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 p -105.82 135.91 46.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.12 31.37 19.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 134' ' ' GLU . 36.6 m -88.84 132.99 34.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.61 -174.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 133' ' ' SER . 5.9 tppt? -85.35 114.18 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.285 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -103.27 112.1 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.31 121.99 41.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.365 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 131' ' ' ILE . 67.9 tp -117.06 114.46 23.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.43 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.609 ' HB3' HG22 ' A' ' 108' ' ' VAL . 17.1 pt-20 -142.08 154.07 64.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.834 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.3 140.07 43.46 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.791 2.327 . . . . 0.0 112.96 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.6 89.48 5.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -94.22 162.8 13.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -60.79 -23.19 64.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 0.0 111.357 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.542 ' HE1' ' H ' ' A' ' 30' ' ' PHE . 8.8 t80 -72.38 -20.09 61.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.573 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 87.9 mmm -93.24 6.66 47.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.014 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -55.71 -58.36 8.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.36 -16.95 50.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 111.327 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.8 -45.49 71.11 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -72.04 -34.15 68.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.462 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.2 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.666 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -84.99 -25.08 27.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.95 -91.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.049 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.98 -117.6 11.86 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.953 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 153' ' ' THR . 3.2 p30 -92.72 114.12 26.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.428 0.632 . . . . 0.0 110.635 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -142.19 132.82 25.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.598 -179.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.85 175.18 10.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.277 0.56 . . . . 0.0 111.588 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -90.94 4.7 51.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.864 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.72 10.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -98.68 23.42 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.539 ' HA ' HD21 ' A' ' 86' ' ' LEU . 23.2 tpp180 -66.32 105.99 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.714 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -91.27 119.0 68.82 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.084 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.17 1.72 8.68 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.777 2.318 . . . . 0.0 113.354 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.81 -39.05 7.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.737 0.304 . . . . 0.0 110.866 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 99.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 109.909 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.9 pt20 -103.4 139.71 20.37 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.237 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 17.2 Cg_exo -67.55 136.5 39.66 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.077 2.518 . . . . 0.0 112.204 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.46 ' HG2' HD11 ' A' ' 27' ' ' LEU . 7.9 Cg_exo -71.83 144.54 43.79 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.77 2.313 . . . . 0.0 112.24 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.12 104.79 15.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.5 -165.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.012 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.624 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 27.3 t70 -60.04 137.19 90.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.424 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.81 -11.87 16.35 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.572 2.848 . . . . 0.0 114.428 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 1.7 mpp_? -60.76 -27.15 67.75 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.176 -0.328 . . . . 0.0 110.832 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 108' ' ' VAL . 73.3 mtp180 -57.3 -39.72 76.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 176.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.74 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 111.377 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m -87.52 -34.69 18.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -88.72 -29.91 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 70' ' ' GLU . 97.8 t -68.4 102.73 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.97 118.88 20.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.85 116.27 32.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.297 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -113.26 132.69 55.44 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.198 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.3 m -96.06 112.06 23.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -55.43 149.72 12.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.812 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.56 -170.31 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.192 0.52 . . . . 0.0 110.15 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.36 -18.06 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.89 0.85 56.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.559 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.49 31.0 73.29 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -113.81 148.89 35.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.593 -0.304 . . . . 0.0 110.444 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 45.7 p90 -137.97 150.09 46.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.79 133.83 38.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.908 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 66.6 m-85 -134.89 147.49 49.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -134.41 163.87 28.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 53.94 80.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.701 0.626 . . . . 0.0 110.94 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 121' ' ' PHE . 64.6 mt -129.37 130.1 23.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.247 -176.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.592 ' HB2' ' OH ' ' A' ' 129' ' ' TYR . 31.6 Cg_exo -59.74 147.16 93.34 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.582 2.188 . . . . 0.0 111.245 173.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.64 129.92 36.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.09 -168.94 38.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.524 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 29.4 m -89.35 126.71 35.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.859 0.361 . . . . 0.0 110.488 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 125' ' ' PRO . 70.3 m-85 -129.22 153.15 48.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.043 0.449 . . . . 0.0 111.198 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.2 120.76 41.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.152 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 80.0 mt -103.7 106.6 20.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 m -113.59 119.25 36.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.156 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 28.1 p -111.74 133.79 53.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 151' ' ' THR . 42.8 mt-10 -90.09 91.39 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.192 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -126.85 98.15 5.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.734 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . 0.407 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 6.3 t -132.07 139.03 48.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.861 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.494 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.0 p90 -139.09 156.05 47.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -173.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 p -101.7 111.42 23.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.178 0.513 . . . . 0.0 109.811 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.97 141.71 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -102.68 102.43 12.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.938 0.399 . . . . 0.0 110.3 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -79.67 86.05 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.368 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.2 t0 49.64 54.4 11.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.522 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 99.29 -14.04 61.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.209 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -101.3 107.15 18.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.013 0.407 . . . . 0.0 110.239 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 8.1 m -83.48 109.79 17.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.1 pt -114.65 165.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.727 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.2 m -115.44 101.49 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.494 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.1 mt-10 -92.61 176.59 6.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.04 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.68 -152.31 38.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.784 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.407 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 140.04 -129.95 4.47 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.73 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 134' ' ' GLU . 3.1 p -116.09 105.69 12.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.667 0.27 . . . . 0.0 110.301 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.7 135.95 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 26.2 m -115.76 128.06 55.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.627 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 169' ' ' THR . 16.3 tppt? -109.61 125.73 52.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 60.3 tp -80.67 110.63 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.81 122.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 90.7 m -109.37 109.14 19.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 46' ' ' ILE . 37.3 t -90.91 106.23 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.181 -178.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -113.51 24.03 12.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.45 141.77 8.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.882 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.491 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.7 p -83.36 -3.4 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.473 . . . . 0.0 110.786 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.473 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 75.6 mt-30 -67.87 159.91 76.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 17.4 Cg_endo -59.32 115.27 2.47 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.652 2.235 . . . . 0.0 112.174 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -95.29 136.21 35.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.546 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -109.05 102.26 11.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.401 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.6 t -111.65 111.58 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 49' ' ' ASP . 4.5 mm? -84.6 107.24 16.71 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 50' ' ' LEU . 30.5 tp -80.26 116.71 20.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.165 0.507 . . . . 0.0 109.652 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.45 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 14.7 t -177.49 -171.33 0.32 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.092 177.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 78' ' ' ALA . 61.0 mt . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.604 0.24 . . . . 0.0 110.44 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.12 143.79 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.464 2.109 . . . . 0.0 111.763 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.73 93.51 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.409 0.624 . . . . 0.0 110.992 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -130.71 132.53 24.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.215 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.52 -167.09 0.17 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.616 2.211 . . . . 0.0 113.564 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.07 12.22 6.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.216 -173.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -78.64 -25.34 45.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.753 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.658 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 40.9 tt0 -75.18 -20.6 59.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.153 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.61 -17.43 62.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.76 4.13 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.74 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 0.0 110.611 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -119.24 161.11 20.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.121 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.66 -174.41 4.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.641 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -83.55 -21.14 32.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.315 0.579 . . . . 0.0 109.79 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.53 103.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.05 46.27 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.31 21.26 1.54 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.465 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' A' ' 158' ' ' VAL . . . -75.39 95.69 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.783 177.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' PHE . 66.3 t -77.98 108.43 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.759 0.314 . . . . 0.0 110.25 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -93.44 120.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -102.48 109.38 20.99 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -110.05 128.46 8.88 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.964 -170.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 118' ' ' ARG . 36.0 t70 -115.19 109.21 17.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 168' ' ' LEU . 25.1 tp -98.74 130.56 45.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 50.4 p90 -162.24 131.86 4.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.814 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.457 HD21 HG11 ' A' ' 152' ' ' VAL . 80.1 mt -113.59 145.7 40.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.24 0.543 . . . . 0.0 110.483 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -94.7 131.86 40.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.287 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -76.22 -177.84 4.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.799 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.47 -50.01 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 t -85.15 10.12 13.08 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.3 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.27 12.07 71.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.849 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 125.93 27.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -91.49 118.37 36.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.077 0.465 . . . . 0.0 111.654 -173.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -111.96 128.27 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 52.8 mmtt -69.49 -80.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.25 94.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.565 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.16 94.63 6.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.605 0.241 . . . . 0.0 111.298 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 56.34 67.18 1.03 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.484 0.659 . . . . 0.0 110.271 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m -107.73 149.37 28.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.628 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -87.26 111.56 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 111.402 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 62.0 t -98.24 105.45 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.31 122.85 40.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.848 0.356 . . . . 0.0 110.638 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 50.4 tp -105.28 99.03 8.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 108' ' ' VAL . 5.0 pt-20 -110.23 145.77 32.84 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.776 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.56 138.65 38.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.001 2.467 . . . . 0.0 112.937 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -72.21 94.83 1.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.249 0.547 . . . . 0.0 110.195 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.658 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 17.4 p -116.7 170.24 8.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.018 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.3 m -83.68 -31.43 26.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -63.06 -45.23 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.415 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.8 mtp -92.8 6.33 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.767 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.7 -42.25 88.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.007 0.432 . . . . 0.0 110.263 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.572 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -73.5 -26.78 61.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.067 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -68.06 -42.66 80.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.69 -34.22 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.38 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -54.75 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.328 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HB3' ' NZ ' ' A' ' 82' ' ' LYS . 6.9 mtpm? -67.08 -44.4 80.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.55 0.214 . . . . 0.0 111.468 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 86' ' ' LEU . 96.8 m-85 -104.44 -96.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.617 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 50.28 -119.02 6.59 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.428 -0.415 . . . . 0.0 112.545 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -81.23 95.26 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 83' ' ' PHE . 9.8 tt -117.59 111.03 18.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.823 -171.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HD23 ' A' ' 86' ' ' LEU . 15.8 t70 -68.89 159.48 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.715 175.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.97 -29.28 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.355 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.32 -2.15 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.758 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 37.4 mtmt -103.94 4.91 35.2 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.446 -0.158 . . . . 0.0 111.037 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HA ' HD21 ' A' ' 86' ' ' LEU . 2.8 ttp180 -65.15 108.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 110.275 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.9 t0 -65.14 117.02 35.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.327 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 74.5 Cg_endo -94.41 7.08 2.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.082 2.521 . . . . 0.0 112.854 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -119.72 -43.62 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.853 0.359 . . . . 0.0 111.26 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 118.01 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.546 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.4 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 47.8 mt-30 -86.09 161.23 50.18 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.108 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 12.4 Cg_endo -57.38 115.38 2.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.343 2.029 . . . . 0.0 111.566 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 28.0 Cg_endo -62.06 138.87 75.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.891 2.394 . . . . 0.0 112.671 -176.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.87 105.78 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.725 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 57.3 mt -93.19 -172.0 2.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.082 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.29 136.67 91.28 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.32 -20.9 12.24 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.56 2.84 . . . . 0.0 113.676 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -58.44 -27.51 64.42 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.556 ' HD2' ' HB2' ' A' ' 100' ' ' LEU . 3.8 ptm180 -65.29 -25.76 67.78 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.099 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.75 -16.53 62.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.606 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.9 m -98.91 -44.59 6.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.782 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.84 -32.5 63.71 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 70' ' ' GLU . 50.2 t -82.96 100.63 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.338 0.59 . . . . 0.0 109.426 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -86.18 124.89 33.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.405 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 35.0 mt-10 -102.07 133.21 47.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.458 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -114.19 129.5 56.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.141 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -95.4 109.09 21.31 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.7 p -64.52 151.79 43.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.322 0.582 . . . . 0.0 111.712 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -73.81 -173.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.37 -25.79 65.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.16 0.505 . . . . 0.0 110.011 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.1 10.12 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.001 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.52 36.23 90.86 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.127 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 49' ' ' ASP . 78.2 mtt180 -119.4 167.52 11.84 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 117.391 0.596 . . . . 0.0 111.873 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -167.27 169.86 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.786 -173.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -147.13 152.99 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 49.8 m-85 -133.78 155.19 50.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -156.49 -174.48 4.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.553 173.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.0 m170 62.88 30.14 16.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.258 0.552 . . . . 0.0 110.658 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 121' ' ' PHE . 69.8 mt -109.5 122.1 40.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.716 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.69 158.8 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.439 2.093 . . . . 0.0 111.317 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.1 137.76 58.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.42 -174.91 34.19 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.035 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 9.2 t -111.82 135.41 52.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.166 0.508 . . . . 0.0 111.257 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -136.84 170.21 16.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.481 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -111.32 128.7 56.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.013 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.7 mt -100.17 105.24 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -105.35 127.05 52.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.385 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -137.72 119.33 14.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.828 0.347 . . . . 0.0 110.311 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 44.5 tt0 -91.15 97.38 11.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.238 0.542 . . . . 0.0 110.015 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.24 109.32 15.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.522 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.2 t -137.82 142.64 40.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.046 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -142.68 153.91 43.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.28 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.9 p -84.49 138.94 32.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.01 163.11 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.518 . . . . 0.0 110.777 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -104.66 115.87 31.07 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.322 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' ' 144' ' ' LYS . 6.8 p -107.3 81.81 1.58 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.962 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 67.76 -84.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.689 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -117.38 -4.81 15.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.075 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' OG ' ' A' ' 141' ' ' SER . 22.1 pttm -125.65 148.77 48.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.507 -0.408 . . . . 0.0 111.33 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.9 m -97.24 118.17 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.852 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -109.55 170.53 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 0.0 111.288 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 20.6 m -102.73 108.84 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -92.46 150.73 20.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.472 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.39 -138.43 14.09 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.369 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.27 -161.11 26.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 13.0 m -96.04 102.76 14.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 52' ' ' LEU . 7.6 p -95.43 127.23 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.057 0.456 . . . . 0.0 110.327 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 35.8 m -132.12 117.98 19.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.928 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -109.31 148.94 30.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -84.88 111.26 19.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.904 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.537 HG21 HD12 ' A' ' 131' ' ' ILE . 84.1 t -121.02 119.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 45.7 m -106.19 120.82 42.81 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.328 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 164' ' ' GLN . 57.9 t -79.69 114.81 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 39.7 m -80.81 -27.01 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.101 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -173.12 -164.8 29.06 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.103 -1.046 . . . . 0.0 112.966 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 15.49 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.38 0.61 . . . . 0.0 110.396 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -91.97 165.56 19.93 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.442 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.82 110.78 1.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.4 2.067 . . . . 0.0 111.702 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.473 ' HG3' HG13 ' A' ' 158' ' ' VAL . 13.7 mm100 -95.25 97.28 9.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -86.69 113.49 22.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.962 0.411 . . . . 0.0 110.408 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.5 122.95 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.663 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.68 111.29 23.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.474 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 50' ' ' LEU . 23.7 tp -87.92 95.41 10.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.306 0.574 . . . . 0.0 109.652 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.5 t -163.27 172.01 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.292 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.543 177.296 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 98' ' ' PRO . 64.8 mt . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 19.6 Cg_endo -58.44 -33.36 97.85 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.229 2.62 . . . . 0.0 114.355 -167.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 31' ' ' PRO . 10.2 t0 -164.36 166.49 20.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -177.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 87.1 t80 -85.52 -54.85 0.42 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD2' ' OD1' ' A' ' 29' ' ' ASP . 9.5 Cg_endo -52.99 121.01 8.58 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.168 1.912 . . . . 0.0 112.917 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -116.95 24.19 11.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.664 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -61.75 -12.9 19.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -21.59 63.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 173.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 32' ' ' GLU . 34.5 m-85 -63.76 -34.37 77.74 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 173.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.42 2.48 28.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.579 -173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -30.03 60.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.152 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 p -92.1 112.99 25.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -89.26 -174.43 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.72 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -105.07 7.3 33.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.413 0.625 . . . . 0.0 110.317 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.64 117.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.881 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 176.7 165.17 31.82 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.93 20.43 7.65 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.12 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.97 109.36 2.85 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.952 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 75.7 t -97.85 116.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.5 118.8 57.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.41 104.25 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.79 122.12 7.39 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.931 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.76 109.0 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 168' ' ' LEU . 35.5 tp -90.51 130.42 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 59' ' ' ILE . 48.6 p90 -174.96 123.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.594 0.559 . . . . 0.0 110.164 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 170' ' ' ARG . 60.7 mt -108.45 153.56 23.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.461 HG23 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -107.71 122.28 46.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.913 0.387 . . . . 0.0 111.629 -177.099 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 m -69.19 150.91 46.96 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 170.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.06 66.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.3 p -76.5 1.5 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.48 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.95 56.81 2.65 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.288 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.29 125.69 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.643 0.258 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 51' ' ' TYR . 21.9 mm -79.05 105.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.008 173.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -92.13 109.54 20.91 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.557 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 5.1 mmtt -63.72 -71.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.925 -170.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.79 80.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.197 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -84.44 101.47 12.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.809 0.338 . . . . 0.0 111.346 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 62.87 47.83 4.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -95.51 134.19 38.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.139 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -78.75 122.46 26.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.037 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.25 130.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.719 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.42 140.66 46.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.93 0.395 . . . . 0.0 111.078 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.11 101.24 8.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.982 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HA ' HG22 ' A' ' 108' ' ' VAL . 42.2 mt-10 -103.68 141.84 23.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.785 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 15.3 Cg_exo -69.26 119.5 6.47 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.752 2.301 . . . . 0.0 111.89 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.6 104.41 8.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.762 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -159.19 -161.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.315 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' TYR . 22.9 t -73.35 -165.61 0.27 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.474 0.31 . . . . 0.0 110.311 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 74' ' ' SER . 73.9 t80 73.23 -53.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.226 0.611 . . . . 0.0 111.279 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtp -90.24 17.23 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.414 -0.179 . . . . 0.0 111.338 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 54.7 tttm -57.36 -46.28 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.25 -15.07 51.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.152 0.501 . . . . 0.0 110.874 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 98' ' ' PRO . 42.5 t80 -71.24 -41.49 70.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.763 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -81.12 -5.84 58.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.919 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.17 -37.75 23.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.246 0.546 . . . . 0.0 109.765 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' NZ ' ' HG3' ' A' ' 98' ' ' PRO . 98.5 mttt -71.87 -48.95 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.288 175.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -103.59 -86.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.893 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.65 43.02 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -85.86 87.93 7.48 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 90' ' ' LYS . 7.1 tt -102.46 105.0 15.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.657 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.46 162.73 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.17 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -18.78 65.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.23 -0.294 . . . . 0.0 111.337 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.64 -18.96 59.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.026 173.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HB3' ' HG ' ' A' ' 86' ' ' LEU . 15.1 mmmt -94.01 6.55 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.162 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -73.64 85.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.842 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 95' ' ' VAL . 33.2 t70 -114.3 134.46 22.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.097 -173.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 29.6 Cg_exo -62.73 -31.85 78.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.203 2.602 . . . . 0.0 113.578 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.17 -8.09 59.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.464 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.526 HG23 ' HB3' ' A' ' 92' ' ' ASP . 42.6 t -81.13 77.33 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 48.7 mt-30 -83.12 131.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.958 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 25.6 Cg_exo -62.94 120.55 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.797 2.331 . . . . 0.0 111.145 174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.557 ' HD2' ' CE1' ' A' ' 79' ' ' TYR . 39.3 Cg_exo -60.71 157.36 37.87 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.847 2.365 . . . . 0.0 111.984 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.16 91.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 110.433 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -86.34 158.07 19.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.167 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.01 136.55 61.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.307 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.82 -18.78 17.12 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.543 2.829 . . . . 0.0 113.87 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -57.67 -29.24 64.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.3 ptt180 -62.07 -36.78 82.71 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 -8.21 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.206 0.526 . . . . 0.0 111.041 -177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -86.82 -39.4 15.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.898 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.66 -40.76 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.41 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 70' ' ' GLU . 94.2 t -69.02 121.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -102.88 146.53 28.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.78 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.92 143.75 41.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.632 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -124.06 161.04 26.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.5 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.4 m -136.44 108.77 7.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.488 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 24.8 p -68.43 138.27 55.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.84 -161.02 0.67 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.87 -32.31 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.877 0.471 . . . . 0.0 111.431 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -75.91 -14.68 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.479 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.557 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 59.51 43.83 97.24 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -137.41 148.23 46.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.592 -0.358 . . . . 0.0 110.225 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.12 154.19 44.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.17 148.3 34.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.985 0.422 . . . . 0.0 110.845 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.632 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 73.5 m-85 -136.94 153.41 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.43 173.84 11.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.789 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 13.9 m80 61.5 47.73 6.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.129 0.49 . . . . 0.0 111.436 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.7 mt -120.89 131.07 24.58 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.859 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.77 158.43 56.27 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.293 1.995 . . . . 0.0 110.968 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 25.4 p-10 -85.79 143.72 28.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.173 0.511 . . . . 0.0 111.112 -176.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.36 -158.74 30.16 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.799 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 p -102.58 128.72 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -132.39 149.98 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.29 120.1 40.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 153' ' ' THR . 46.0 mt -94.78 104.83 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 p -108.33 128.65 54.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 t -150.75 124.21 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.839 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.8 pt-20 -98.35 91.36 5.17 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.894 0.854 . . . . 0.0 111.078 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.14 99.22 9.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.329 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.4 t -120.94 138.17 54.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.012 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.467 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 48.5 p90 -133.91 151.33 51.47 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.704 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 p -97.55 121.3 39.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.853 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.07 114.11 26.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 85.4 mt-30 -81.04 92.25 6.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.189 0.519 . . . . 0.0 109.912 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.0 m -100.75 108.27 20.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.369 -175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 65.95 14.07 9.39 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.32 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 109.55 -15.97 31.86 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.774 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -92.41 109.82 21.22 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 17.0 m -81.42 99.38 8.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.303 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.9 pt -96.17 150.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.178 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 39.8 m -107.59 102.86 12.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.08 0.466 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 42.0 mt-10 -96.77 179.3 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.382 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 78.77 -150.83 34.92 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.259 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 137.58 -162.33 25.45 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.671 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 19.9 m -86.74 102.48 14.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.8 0.333 . . . . 0.0 110.175 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.46 133.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 28.5 m -125.74 117.36 23.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.251 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -109.69 127.79 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.0 103.03 11.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.419 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.92 117.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.6 m -100.79 96.72 7.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.136 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 45.2 t -87.93 104.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 p -64.39 -35.38 80.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.26 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.72 -160.08 13.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 70.2 m -81.5 60.29 4.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.821 0.819 . . . . 0.0 109.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.26 151.15 44.07 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.094 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 57.8 Cg_endo -76.51 91.4 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.102 1.868 . . . . 0.0 111.344 172.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -97.68 132.77 43.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.593 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -99.19 118.1 35.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.594 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.03 126.53 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.175 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.32 100.43 13.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 50' ' ' LEU . 48.8 tp -80.13 85.46 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.5 t -137.14 161.09 37.08 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.758 -173.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.441 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.3 ttt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.219 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 59.6 mt . . . . . 0 N--CA 1.467 0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 26.3 Cg_exo -62.33 152.15 78.37 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.799 2.332 . . . . 0.0 112.701 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -101.84 -36.62 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.928 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.1 m-85 -72.55 -53.16 6.01 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -175.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 7.8 Cg_exo -73.31 29.14 0.3 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.92 2.413 . . . . 0.0 114.392 -171.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -76.52 -26.9 55.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.365 0.602 . . . . 0.0 110.107 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -76.49 -8.57 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.102 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.66 -13.52 62.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.599 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -66.4 -21.31 66.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.02 14.2 22.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.465 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.08 17.12 14.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 110.796 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 145.39 35.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.473 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -129.52 155.37 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.588 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.13 -30.87 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.196 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.13 117.75 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.823 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.08 112.64 0.35 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.49 -4.73 62.18 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.19 -1.005 . . . . 0.0 113.09 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -54.37 122.06 22.59 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.659 -0.305 . . . . 0.0 113.533 -174.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.66 127.79 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.916 0.388 . . . . 0.0 110.648 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.08 123.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 18.4 t-20 -135.43 109.52 8.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -151.84 171.81 31.24 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 119.149 -1.501 . . . . 0.0 114.3 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.58 145.99 36.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.32 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 26.3 tp -105.93 121.9 45.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 42.3 p90 -158.18 133.74 8.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.71 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.96 162.19 21.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.857 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 p -95.05 123.78 38.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.672 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -76.61 162.4 27.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.72 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.905 0.383 . . . . 0.0 111.546 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -77.54 -1.29 29.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.77 32.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.222 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.65 143.55 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.13 106.91 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.802 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.86 112.24 24.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.549 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.57 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 23.9 mmtp -72.9 -65.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.319 0.387 . . . . 0.0 111.39 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.81 122.62 5.12 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.895 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 115' ' ' GLN . 23.8 p -115.77 143.5 45.3 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.883 -0.186 . . . . 0.0 110.505 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER 61.19 22.5 12.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.752 0.787 . . . . 0.0 109.414 -179.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -85.15 134.64 34.16 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.563 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -85.67 104.63 15.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.06 0.457 . . . . 0.0 111.231 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 82.7 t -85.67 107.5 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.389 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.79 115.6 28.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.9 0.381 . . . . 0.0 111.219 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 109' ' ' ARG . 48.1 tp -93.2 107.97 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.668 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' HG22 ' A' ' 108' ' ' VAL . 33.1 mt-10 -113.56 145.05 32.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 -175.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.2 116.15 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.619 2.212 . . . . 0.0 112.278 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 129' ' ' TYR . . . -85.66 123.91 31.59 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 75' ' ' TYR . 13.9 t -156.12 -168.79 2.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -174.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.522 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 57.3 m -74.81 -11.88 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.377 . . . . 0.0 111.486 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.767 ' H ' HG23 ' A' ' 73' ' ' THR . 38.8 t80 -91.54 173.83 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.2 mmm 73.33 5.15 5.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.892 0.477 . . . . 0.0 112.036 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 74' ' ' SER . 73.5 mmtt -51.96 -70.72 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -58.02 -28.7 64.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.02 -177.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.37 -52.81 62.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -70.79 -28.21 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.12 63.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.404 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 43.3 mtpt -82.71 -31.53 28.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.515 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -115.99 -82.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.576 0.227 . . . . 0.0 110.907 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -115.76 8.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.181 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 151' ' ' THR . 96.1 m-20 -100.99 91.0 4.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 110.331 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -102.36 137.62 40.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.907 -178.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -76.47 132.86 39.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.212 173.69 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.34 67.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.158 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 87' ' ' ASP . . . -67.56 -23.4 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -116.64 39.92 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 111.054 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 119.61 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.34 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -89.5 117.73 68.43 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -86.18 -1.63 8.59 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.797 2.331 . . . . 0.0 112.82 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.22 -43.03 5.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.0 110.348 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.62 100.55 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.48 144.54 28.97 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.049 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 29.8 Cg_exo -62.61 117.66 4.55 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.541 2.161 . . . . 0.0 111.322 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 23.0 Cg_endo -61.64 132.02 38.4 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.68 2.253 . . . . 0.0 112.431 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.98 89.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -81.7 -23.92 36.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.553 -177.024 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.426 ' N ' HD12 ' A' ' 100' ' ' LEU . 10.2 t70 -164.58 126.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.5 -17.52 23.59 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.897 2.398 . . . . 0.0 113.427 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -71.66 -9.9 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -57.24 -30.15 64.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.8 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -17.51 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.2 m -103.9 -28.17 11.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.021 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -88.66 -21.31 24.01 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 70' ' ' GLU . 74.1 t -82.6 115.73 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.128 0.489 . . . . 0.0 110.171 177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 69.3 ttt180 -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.679 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.08 130.79 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 0.0 111.52 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -116.39 113.14 22.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.926 172.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 64' ' ' ASN . 94.7 m -82.23 113.83 20.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.643 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 33.7 p -61.32 128.91 38.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.0 111.52 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 33.9 t70 -73.59 -177.42 2.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.97 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 62.0 tt0 -57.42 -29.76 64.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.773 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -82.29 -0.33 45.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.416 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 66.99 41.79 93.01 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.318 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 45.3 ttm180 -124.95 145.4 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -128.4 148.55 50.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.76 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -145.77 142.84 29.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.629 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.611 ' CB ' HD11 ' A' ' 124' ' ' ILE . 51.7 m-85 -135.19 114.0 11.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.893 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -96.11 148.55 22.57 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 58.81 86.34 0.09 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.185 0.993 . . . . 0.0 111.428 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.611 HD11 ' CB ' ' A' ' 121' ' ' PHE . 67.6 mt -129.29 133.7 25.45 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.329 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.13 129.13 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.126 1.884 . . . . 0.0 110.972 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.6 129.03 39.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.983 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.55 -164.55 38.04 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.089 -177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -107.48 132.03 53.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' H ' ' A' ' 72' ' ' ALA . 94.4 m-85 -133.76 154.66 50.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.202 0.525 . . . . 0.0 111.651 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD23 ' A' ' 155' ' ' LEU . 35.5 m-85 -102.3 141.48 35.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.944 171.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 156' ' ' VAL . 48.2 mt -116.25 108.73 25.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.2 m -103.14 119.02 38.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.04 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -137.65 126.26 23.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.964 0.411 . . . . 0.0 110.704 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 151' ' ' THR . 13.8 pt-20 -103.38 102.57 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.51 0.672 . . . . 0.0 110.536 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.2 tp -111.73 118.83 36.7 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.2 p -124.92 139.08 54.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -138.91 137.29 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.803 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 9.8 m -94.34 109.1 20.97 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.198 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.93 145.57 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.646 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 90.0 mt-30 -82.52 105.41 13.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.12 0.486 . . . . 0.0 110.52 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.3 t -103.88 105.34 15.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.825 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.33 16.33 9.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.658 173.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 127.42 -33.86 3.19 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.648 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -96.52 130.59 43.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 111.165 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 12.6 m -84.26 96.5 9.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 109.885 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.75 144.17 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.671 -175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 138' ' ' SER . 34.0 m -94.01 101.97 14.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.401 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 43.5 mt-10 -83.62 178.34 8.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.547 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 111.54 -152.09 17.71 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.775 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 141.35 -161.76 26.9 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.581 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.5 p -93.24 113.19 25.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.939 0.37 . . . . 0.0 110.57 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.43 108.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.728 0.775 . . . . 0.0 109.247 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 10.9 m -105.7 110.48 22.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.507 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -112.51 137.26 50.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.422 HD23 ' CE1' ' A' ' 130' ' ' TYR . 3.2 tm? -81.79 121.45 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.395 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 131' ' ' ILE . 92.1 t -127.05 121.71 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.141 0.496 . . . . 0.0 110.316 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.3 t -103.75 133.83 48.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.91 96.22 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.2 m -99.88 -7.91 24.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -137.46 147.88 19.49 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.427 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.704 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.2 m -75.26 -30.14 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.203 0.525 . . . . 0.0 110.304 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.3 151.25 97.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.59 125.47 18.85 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 123.022 2.482 . . . . 0.0 113.869 -171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.49 114.84 26.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.804 172.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 62.7 tttp -80.56 115.95 20.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.469 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 60.2 t -124.1 114.81 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.539 -174.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.408 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 69.9 mt -83.29 105.5 14.29 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 171.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.3 tt -81.1 93.62 6.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.826 0.822 . . . . 0.0 109.654 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 14.8 t -155.19 123.4 5.88 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.2 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 8.5 mmm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.365 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.37 173.19 14.18 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.57 2.18 . . . . 0.0 112.171 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.12 146.98 41.2 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -72.02 116.13 45.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.996 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG2' ' HB2' ' A' ' 75' ' ' TYR . 32.3 Cg_exo -59.08 -42.31 52.43 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.51 2.14 . . . . 0.0 111.252 176.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 63.56 -73.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.669 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -59.11 -21.07 58.69 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.676 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 41.9 tt0 -62.65 -33.87 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.383 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.85 -44.36 90.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.203 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.46 -7.42 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.454 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.69 45.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -96.48 155.83 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 16.2 mm100 -86.03 152.38 22.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.641 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -97.28 -42.69 7.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 110.149 -178.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.15 120.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.73 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 125' ' ' PRO . . . -129.53 -164.84 11.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.865 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.52 -4.07 17.96 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.269 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.36 121.11 10.91 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.81 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.73 116.97 48.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.2 mt -109.99 110.84 33.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 15.6 m120 -102.71 104.88 15.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -103.98 141.37 15.24 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.969 -1.11 . . . . 0.0 113.461 -171.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -116.71 109.57 17.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.7 tp -88.41 127.92 35.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.475 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.9 p90 -168.79 110.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.657 0.741 . . . . 0.0 110.114 173.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 135' ' ' LEU . 90.1 mt -99.41 115.25 28.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.277 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 125.48 30.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.92 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.435 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 19.7 m -68.66 162.37 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -14.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.066 0.46 . . . . 0.0 111.111 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -80.2 -11.81 59.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 8.69 62.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.243 -0.98 . . . . 0.0 112.331 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.39 133.96 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -95.79 112.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 0.0 111.651 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.46 112.44 24.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.812 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 39.5 mmtt -78.11 -3.29 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.65 85.02 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.151 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 115' ' ' GLN . 34.3 p -94.53 125.15 38.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.909 -0.171 . . . . 0.0 110.67 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.0 t30 62.58 35.88 14.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.799 0.809 . . . . 0.0 109.608 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -95.83 137.42 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.613 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -92.21 118.01 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.589 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.52 127.44 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.668 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.24 121.65 44.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tt -103.51 113.92 27.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 108' ' ' VAL . 39.4 mt-10 -115.34 146.94 37.54 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.954 -174.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.97 128.06 12.78 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.47 2.113 . . . . 0.0 112.14 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.14 105.77 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.059 0.457 . . . . 0.0 110.854 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.676 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 56.5 p -103.09 -173.6 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.38 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -78.52 -21.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.364 0.602 . . . . 0.0 109.538 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.55 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 19.9 t80 -81.84 -30.85 31.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.329 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 1.5 mmt -80.29 58.83 3.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 111.288 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -123.71 -67.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.103 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.781 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.43 -46.53 89.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.882 0.372 . . . . 0.0 110.589 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 20.5 m-85 -85.1 1.09 49.38 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.63 -28.12 28.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 169.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -85.16 -62.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.48 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -91.65 -1.1 57.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.735 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -70.56 119.23 8.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.87 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.628 ' HA ' ' O ' ' A' ' 151' ' ' THR . 31.5 m-80 52.39 59.48 4.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.329 0.585 . . . . 0.0 111.025 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.4 tt -102.58 112.83 25.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.544 0.687 . . . . 0.0 109.748 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.7 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 13.7 t70 -65.82 158.01 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.561 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.93 -26.84 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 111.256 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.87 -11.64 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 87' ' ' ASP . 28.3 mtpp -96.88 13.12 29.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.557 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 91' ' ' ARG . 9.9 mmt180 -80.57 93.53 6.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -82.65 131.16 55.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.831 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.78 -15.99 48.87 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.995 2.463 . . . . 0.0 113.753 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -97.39 -22.6 16.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.971 0.415 . . . . 0.0 110.909 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.51 97.18 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 64.4 mt-30 -97.13 137.69 21.24 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.16 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 5.9 Cg_exo -73.03 116.45 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.69 2.26 . . . . 0.0 112.106 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.56 146.0 34.03 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.852 2.368 . . . . 0.0 112.259 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.63 121.65 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.5 mt -94.54 -169.33 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -65.59 150.82 95.62 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.702 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.52 -11.17 18.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.909 2.406 . . . . 0.0 112.765 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -39.59 90.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 51.9 mtp85 -48.53 -49.46 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.354 174.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.3 -30.4 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -79.6 -42.19 25.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.684 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -95.06 -16.28 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -170.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' ARG . 69.4 t -73.6 121.93 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 0.0 110.086 176.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -95.94 120.72 36.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.71 128.73 47.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -123.98 144.68 49.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.8 m -108.67 111.39 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 119' ' ' PHE . 36.0 p -67.4 135.41 53.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 0.0 112.193 -172.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.732 ' HB2' ' HB2' ' A' ' 118' ' ' ARG . 8.7 m-20 -66.84 170.99 5.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.464 176.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' A' ' 63' ' ' THR . 48.6 tt0 -70.76 -18.4 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 0.0 110.56 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -92.27 15.65 13.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.109 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.0 45.43 83.08 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.616 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.732 ' HB2' ' HB2' ' A' ' 114' ' ' ASP . 1.6 mmp_? -111.6 133.25 53.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.738 -0.231 . . . . 0.0 111.438 -175.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.511 ' HB3' HG22 ' A' ' 113' ' ' THR . 50.2 p90 -145.33 126.19 14.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -119.42 115.03 23.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.458 -168.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 60.9 m-85 -113.26 142.35 45.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.861 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.04 148.69 30.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.999 -173.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.74 63.6 1.46 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.527 0.68 . . . . 0.0 111.526 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 121' ' ' PHE . 59.0 mt -122.15 127.09 26.06 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.516 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 39' ' ' GLN . 37.3 Cg_exo -62.56 160.14 33.41 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 112.545 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 158' ' ' VAL . 5.8 m-20 -69.99 136.7 50.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.731 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.3 -172.7 34.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.292 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -97.62 134.09 41.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -134.74 156.78 48.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.514 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -113.66 117.7 32.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.377 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 156' ' ' VAL . 56.5 mt -97.42 107.37 19.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 10.4 t -124.13 125.71 44.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.327 -176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 p -137.49 134.29 35.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.34 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.17 109.21 20.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.077 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 52' ' ' LEU . 55.2 tp -132.53 111.09 10.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.711 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.495 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 38.5 p90 -146.38 175.16 10.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 145' ' ' THR . 78.0 p -123.73 125.44 44.75 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.12 137.05 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.84 129.27 34.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.035 0.445 . . . . 0.0 110.395 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.3 m -124.74 71.35 1.16 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.1 t70 58.23 81.39 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.036 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.21 -45.15 3.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.128 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -89.53 123.24 33.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.999 0.4 . . . . 0.0 110.962 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 138' ' ' SER . 2.8 m -99.36 96.79 7.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.952 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.9 pt -85.94 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.174 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.7 m -94.09 123.88 37.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.495 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 45.1 mt-10 -116.18 167.99 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 92.79 -161.01 25.59 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.606 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.46 -144.19 14.89 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . 0.628 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 12.7 p -90.43 102.64 15.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.016 0.408 . . . . 0.0 110.394 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.2 p -91.53 121.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.142 0.496 . . . . 0.0 109.719 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 21.0 m -116.96 120.86 39.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.606 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -113.33 123.91 51.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.529 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 tp -84.15 106.48 15.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 131' ' ' ILE . 61.6 t -105.55 120.05 55.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 22.3 m -99.31 102.49 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.162 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 46' ' ' ILE . 41.3 t -83.99 93.36 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.9 p -108.06 23.39 14.56 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.422 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.88 158.53 31.54 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.272 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.411 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 p -97.64 10.91 38.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 0.0 110.93 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 164' ' ' GLN . 50.8 mt-30 -81.91 153.66 69.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.697 174.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.88 111.65 1.27 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.451 2.101 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 162' ' ' GLN . 61.2 mt-30 -105.73 120.46 41.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.849 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 79.9 tttt -83.19 113.43 20.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.12 0.486 . . . . 0.0 110.302 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.461 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 77.1 t -108.96 117.27 53.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.456 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 167' ' ' LEU . 5.4 mp -90.86 115.68 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.548 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 17.2 tp -80.81 85.07 6.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.815 0.817 . . . . 0.0 110.023 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.439 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -152.27 160.18 43.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 113.875 -1.511 . . . . 0.0 107.626 174.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.696 -174.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.93 -175.28 0.91 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.634 2.223 . . . . 0.0 112.992 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.655 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 30.6 t70 -51.8 137.61 25.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.599 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 12.5 p90 -97.38 106.52 32.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.677 ' HD2' ' HB2' ' A' ' 75' ' ' TYR . 51.6 Cg_endo -100.72 114.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.351 0 C-N-CA 123.623 2.882 . . . . 0.0 111.761 170.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.25 12.89 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.01 0.433 . . . . 0.0 110.858 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -57.8 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.049 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 73' ' ' THR . 28.3 mt-10 -65.37 -21.15 66.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.067 -173.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -73.87 -19.17 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.593 0.235 . . . . 0.0 111.35 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.38 -4.72 26.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -15.02 62.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.584 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.543 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 4.8 p -78.5 -24.74 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.525 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 58.2 -98.91 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' HE1' ' A' ' 123' ' ' HIS . 47.2 tt0 -179.52 -52.52 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.192 0.52 . . . . 0.0 110.522 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 7.2 p -63.22 134.63 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.349 -176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 179.41 158.47 21.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.849 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.02 7.55 10.03 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.496 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.16 117.75 7.56 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.121 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.08 122.17 60.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -107.04 121.43 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.372 . . . . 0.0 110.479 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.49 101.95 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -108.96 132.42 11.08 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.227 -173.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -120.85 114.24 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 57.9 tp -94.47 128.33 40.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -171.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.545 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 24.3 p90 -166.38 115.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.357 0.599 . . . . 0.0 110.532 173.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 169' ' ' THR . 90.0 mt -99.36 133.07 44.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.045 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.667 -178.525 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 0.8 OUTLIER -65.08 163.34 15.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.392 176.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.37 -25.49 66.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.25 0.547 . . . . 0.0 109.901 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.13 -5.5 58.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.333 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.52 19.75 77.96 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.979 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 53' ' ' THR . 90.2 mt 61.75 99.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.437 0.637 . . . . 0.0 111.385 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -97.84 127.62 43.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.186 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 57.5 mmtt -74.29 -71.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.371 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.4 93.52 0.37 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.783 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.81 115.8 28.45 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.578 0.228 . . . . 0.0 110.961 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 62.56 33.66 15.73 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.282 0.563 . . . . 0.0 110.664 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -91.27 145.17 24.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.158 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -96.29 121.52 38.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.83 119.57 51.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.429 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.37 138.7 38.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 129' ' ' TYR . 58.6 tp -111.29 104.64 13.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.838 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 130' ' ' TYR . 21.6 mm-40 -97.7 144.75 28.53 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.536 -176.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 6.0 Cg_exo -78.6 129.79 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.056 2.504 . . . . 0.0 111.506 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . . . -67.81 107.59 2.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.126 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 34' ' ' GLU . 71.7 p -126.75 154.92 43.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 29.4 m -75.85 -23.73 55.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.429 0.633 . . . . 0.0 109.62 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 27.4 t80 -61.1 -38.02 84.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.732 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 79' ' ' TYR . 9.9 ttt -87.18 24.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.828 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 74' ' ' SER . 31.5 tptt -58.88 -58.37 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.094 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.28 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.779 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB3' ' HG2' ' A' ' 76' ' ' MET . 20.1 t80 -69.03 -37.87 78.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -76.2 -26.41 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.227 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.35 -51.85 13.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.551 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 20.4 mtpt -81.73 -36.44 28.6 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -104.58 -96.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.388 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.73 -116.88 5.28 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.224 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.609 HD22 ' H ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.75 84.21 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.273 1.035 . . . . 0.0 110.055 175.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.823 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.0 tt -104.33 113.68 27.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.288 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.966 172.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.72 -18.8 64.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.928 0.394 . . . . 0.0 110.769 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 -17.02 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.672 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 pttm -120.38 29.38 7.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.343 0.592 . . . . 0.0 110.384 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HA ' HD21 ' A' ' 86' ' ' LEU . 14.2 tpt180 -69.52 106.42 2.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.683 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.94 115.2 9.67 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.956 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -86.89 19.66 1.35 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.763 2.309 . . . . 0.0 113.144 -173.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.09 -57.9 2.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.882 0.372 . . . . 0.0 110.631 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.87 116.02 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.676 0.75 . . . . 0.0 111.758 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.41 ' HA ' HH22 ' A' ' 91' ' ' ARG . 52.2 mt-30 -95.3 162.3 25.14 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.709 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.74 114.12 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.515 2.143 . . . . 0.0 112.499 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.46 170.72 14.31 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 112.382 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -77.1 81.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.389 0.614 . . . . 0.0 110.098 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.96 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . 30.2 mt -64.14 151.74 42.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.605 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.8 m-20 -55.7 138.75 69.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.66 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -59.89 -11.63 15.78 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.833 3.022 . . . . 0.0 113.568 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' A' ' 107' ' ' TYR . 16.8 tpp180 -55.92 -40.99 73.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.101 0.477 . . . . 0.0 110.511 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.96 ' HE ' ' HB2' ' A' ' 100' ' ' LEU . 34.9 ptt85 -65.95 -33.31 75.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.5 m -91.25 -48.46 6.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.956 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' A' ' 103' ' ' ARG . 97.1 m-85 -85.5 -26.75 26.07 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' GLU . 54.7 t -68.95 118.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -108.7 125.33 51.78 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.263 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.23 148.42 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.09 124.82 31.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.3 m -82.34 120.1 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 32.7 p -63.42 135.91 57.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.542 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -68.19 173.28 4.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.231 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 6.5 tp-100 -49.23 -38.8 27.67 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.183 0.993 . . . . 0.0 112.958 -175.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.519 HD21 ' HB2' ' A' ' 118' ' ' ARG . 2.2 p-10 -87.99 8.62 25.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.289 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 74.9 51.01 8.13 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.007 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' A' ' 116' ' ' ASN . 39.7 ttm180 -131.84 147.64 52.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.508 -0.407 . . . . 0.0 110.765 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -144.59 148.92 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.74 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.41 141.67 49.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.553 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 78.2 m-85 -129.31 148.36 51.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.454 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.09 171.29 17.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.426 ' HE1' ' HG2' ' A' ' 40' ' ' GLN . 28.7 t-80 60.21 47.47 9.24 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.785 0.678 . . . . 0.0 110.3 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.1 mt -116.79 132.84 23.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.928 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.543 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.7 Cg_exo -68.55 162.94 38.75 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.961 2.441 . . . . 0.0 111.601 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -81.54 144.81 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 0.0 111.029 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.41 -175.67 29.36 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.982 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 157' ' ' THR . 13.6 p -93.56 127.24 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 69' ' ' LEU . 93.5 m-85 -124.98 155.92 38.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 72' ' ' ALA . 46.9 m-85 -101.24 108.17 19.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.174 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 156' ' ' VAL . 10.8 mt -94.29 109.59 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.2 t -113.03 126.69 55.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.199 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -130.46 120.06 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.961 0.41 . . . . 0.0 110.348 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -93.32 101.9 14.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.388 0.613 . . . . 0.0 110.191 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.3 tp -119.15 101.37 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.736 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -115.07 122.76 47.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.454 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.565 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 43.0 p90 -127.15 171.53 11.33 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.685 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 p -120.35 114.65 22.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.655 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.27 149.21 36.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.345 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -88.33 107.92 19.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.085 0.469 . . . . 0.0 110.963 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.9 t -89.41 80.87 6.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.2 t70 67.35 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.119 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -127.32 -1.69 6.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.164 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -108.58 117.79 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.628 0.252 . . . . 0.0 110.657 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 42.3 m -80.57 99.49 8.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.974 0.416 . . . . 0.0 109.885 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 pt -92.85 157.44 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.734 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.6 m -104.2 101.2 10.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.032 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.565 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.5 mt-10 -88.31 162.95 16.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 101.5 -144.04 16.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.36 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.93 -149.42 20.42 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.5 m -108.1 102.58 11.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.905 0.383 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.405 HG11 HD21 ' A' ' 52' ' ' LEU . 7.8 p -94.46 116.19 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.391 0.615 . . . . 0.0 110.051 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 58.3 m -118.04 121.82 41.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.495 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' A' ' 169' ' ' THR . 60.3 mttm -109.35 140.9 42.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.517 HD11 ' HB ' ' A' ' 128' ' ' THR . 59.4 tp -82.42 97.33 8.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 131' ' ' ILE . 89.7 t -97.39 109.82 24.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.419 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . 0.591 ' HB ' HG22 ' A' ' 128' ' ' THR . 3.2 t -95.88 105.82 17.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.769 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.15 84.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 38.6 t -73.53 -34.04 65.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.843 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.09 157.21 17.58 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.455 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.99 13.91 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.983 0.421 . . . . 0.0 111.679 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -87.45 160.9 47.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.2 111.89 1.0 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.55 2.167 . . . . 0.0 112.326 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -94.93 107.46 19.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.527 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -84.67 119.9 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.466 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 55.4 t -121.92 114.63 43.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 -176.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 94.3 mt -81.58 109.63 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.55 93.88 6.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.534 0.683 . . . . 0.0 109.527 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.528 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.4 t -153.82 -152.7 0.43 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.305 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 170' ' ' ARG . 47.9 mtm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.836 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 82.8 mt . . . . . 0 N--CA 1.471 0.599 0 N-CA-C 111.308 0.114 . . . . 0.0 111.308 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.507 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 15.6 Cg_exo -66.64 -76.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.28 1.987 . . . . 0.0 113.724 -173.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -168.71 -168.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 56.99 81.32 0.26 Allowed Pre-proline 0 N--CA 1.466 0.332 0 C-N-CA 123.273 0.629 . . . . 0.0 111.268 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.15 82.46 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.011 2.474 . . . . 0.0 113.152 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 68.69 -24.14 0.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.49 -23.74 51.79 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.679 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 54.4 tt0 -62.03 -28.0 69.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 111.114 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -79.82 -7.67 58.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.425 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.53 -2.69 58.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.62 3.47 29.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 111.455 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m -86.27 84.4 7.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.944 0.402 . . . . 0.0 111.313 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -149.6 110.98 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.543 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 178.03 110.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 123.526 0.517 . . . . 0.0 110.27 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.38 138.26 23.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -126.38 -174.23 13.79 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.018 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 20.69 2.54 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.49 114.65 3.98 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.617 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 21.9 t -92.14 115.4 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 158' ' ' VAL . 28.6 mt -116.06 111.73 36.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.26 -176.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.595 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 13.0 m120 -102.35 118.93 37.92 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -103.1 119.81 6.55 Favored Glycine 0 C--N 1.315 -0.589 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.671 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.532 ' HB3' ' HG ' ' A' ' 167' ' ' LEU . 1.0 OUTLIER -96.65 108.9 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.109 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 168' ' ' LEU . 45.3 tp -93.33 134.76 35.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.112 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.404 ' HE1' HD23 ' A' ' 167' ' ' LEU . 45.8 p90 -176.06 121.82 0.17 Allowed 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.953 0.783 . . . . 0.0 109.956 169.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 169' ' ' THR . 78.0 mt -109.22 119.46 39.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.231 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -78.78 126.26 30.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -70.83 165.23 23.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -14.69 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 111.426 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.5 m -88.46 0.83 55.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.89 85.55 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.24 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.46 138.13 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -95.83 113.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -176.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -90.04 96.81 10.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 4.7 tmtt? -63.87 -29.85 71.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.919 -172.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.01 101.31 0.65 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.182 -1.008 . . . . 0.0 111.597 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 118.33 36.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.692 -0.299 . . . . 0.0 110.333 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 57.97 38.74 26.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.659 0.599 . . . . 0.0 111.114 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.7 m -83.41 137.83 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -91.58 120.93 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.882 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.8 142.78 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.208 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.67 120.34 39.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.827 0.346 . . . . 0.0 110.316 177.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -104.09 104.13 14.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.976 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.482 ' HG2' HG13 ' A' ' 108' ' ' VAL . 49.4 mt-10 -104.28 139.23 19.9 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 107' ' ' TYR . 23.7 Cg_exo -65.01 120.04 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.22 1.946 . . . . 0.0 110.944 173.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.32 103.23 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.884 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.679 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 33.1 p -104.61 164.08 12.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.743 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -68.94 -28.73 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.54 0.686 . . . . 0.0 109.355 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.52 -31.27 71.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.225 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 96.6 mmm -96.34 3.48 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.41 -43.94 92.94 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 28' ' ' PRO . . . -72.95 -25.29 60.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.238 0.542 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -76.74 -40.64 47.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.59 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.769 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.56 94.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.919 0.39 . . . . 0.0 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -85.22 -57.62 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.742 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -98.52 7.65 45.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.163 -168.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.98 -58.74 10.74 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.372 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -133.95 94.41 3.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 0.0 109.989 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 6.3 tt -124.61 119.27 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.444 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.2 150.14 49.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.782 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.28 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -21.48 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.246 0.546 . . . . 0.0 109.999 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 14.2 mmmm -88.68 -2.74 58.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.255 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -68.83 94.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.537 ' HB3' HG23 ' A' ' 95' ' ' VAL . 11.3 t70 -104.25 136.19 19.22 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.018 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 52.5 Cg_exo -56.77 -19.26 30.24 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.169 2.579 . . . . 0.0 113.473 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.86 -27.97 60.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.284 0.564 . . . . 0.0 110.361 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 92' ' ' ASP . 14.9 t -82.87 73.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.152 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 23.4 mt-30 -91.78 142.4 26.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.566 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 4.8 Cg_exo -74.97 115.25 4.23 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.884 2.389 . . . . 0.0 111.921 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 16.9 Cg_exo -68.49 157.08 63.32 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.732 2.288 . . . . 0.0 111.77 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.63 110.23 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.012 0.434 . . . . 0.0 110.449 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.28 -162.64 0.96 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.518 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 21.2 t70 -70.63 131.09 88.17 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.492 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.86 -24.66 60.86 Favored 'Trans proline' 0 N--CA 1.473 0.319 0 C-N-CA 123.28 2.654 . . . . 0.0 113.636 -176.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 68.0 mtm180 -68.88 -13.44 62.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -55.87 -34.34 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -23.52 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.369 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 m -92.67 -32.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.534 ' HB3' ' HG2' ' A' ' 71' ' ' PRO . 26.6 m-85 -83.93 -38.24 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.945 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.482 HG13 ' HG2' ' A' ' 70' ' ' GLU . 98.1 t -68.89 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.042 0.449 . . . . 0.0 110.166 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -87.71 127.09 35.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.182 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.68 130.31 48.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.14 157.23 43.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.726 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.8 m -126.21 120.29 29.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.717 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.503 HG22 ' HD1' ' A' ' 119' ' ' PHE . 70.1 p -58.94 133.73 56.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.42 -177.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -70.22 -179.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.61 -24.85 58.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -86.67 4.1 41.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.057 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.536 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 66.8 42.87 92.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.357 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.2 ttp85 -137.36 145.06 42.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.503 ' HD1' HG22 ' A' ' 113' ' ' THR . 14.5 p90 -123.23 123.92 41.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.005 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -111.87 127.51 55.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.441 ' HB3' HD11 ' A' ' 124' ' ' ILE . 92.5 m-85 -116.36 153.08 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.352 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -162.18 -177.91 6.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 173.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 77.9 m-70 63.72 28.69 14.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -174.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . 0.505 ' C ' ' HA3' ' A' ' 42' ' ' GLY . 67.1 mt -109.61 134.54 20.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.644 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.31 178.45 5.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.768 2.312 . . . . 0.0 112.019 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -91.81 141.09 29.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.43 -167.46 35.09 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.965 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.4 p -97.27 134.8 40.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.574 0.226 . . . . 0.0 110.891 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -134.67 149.8 50.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 155' ' ' LEU . 32.0 m-85 -103.13 121.53 42.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.883 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 153' ' ' THR . 74.2 mt -97.49 104.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.0 m -111.88 142.64 44.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.09 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.414 ' OG ' HD21 ' A' ' 168' ' ' LEU . 18.2 p -157.18 143.1 17.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -109.92 105.62 14.86 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 52' ' ' LEU . 48.1 tp -125.83 111.84 15.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.1 p -121.37 137.47 54.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.201 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.486 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.2 p90 -133.59 155.14 50.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.271 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HG22 ' A' ' 145' ' ' THR . 8.8 p -98.3 123.61 42.48 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -81.1 119.12 23.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.417 0.627 . . . . 0.0 110.305 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.5 m -106.25 -146.55 0.39 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.155 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.79 84.74 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.878 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.05 -12.31 54.35 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.27 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -125.8 142.62 51.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.981 0.39 . . . . 0.0 110.646 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 138' ' ' SER . 24.3 m -100.06 106.95 18.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.7 pt -94.89 171.55 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.4 m -117.52 120.68 38.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.486 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 35.0 mt-10 -103.76 168.6 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 94.3 -162.36 24.7 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.276 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 148.4 -149.31 21.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.8 m -96.1 108.89 21.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 0.0 110.333 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.82 137.62 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.288 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 42.8 m -136.42 129.12 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 169' ' ' THR . 54.6 mttm -109.5 134.02 52.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.2 tp -87.03 105.29 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 47.3 t -104.94 115.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.685 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.5 m -93.21 99.79 12.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.958 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 46' ' ' ILE . 40.6 t -89.09 92.87 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.197 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.0 t -110.4 29.0 8.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.403 0.62 . . . . 0.0 109.841 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -150.06 137.04 5.96 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.405 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.5 m -96.52 63.93 2.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.348 0.594 . . . . 0.0 111.145 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.24 165.78 16.86 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.566 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.478 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 27.3 Cg_exo -63.14 109.99 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.774 2.316 . . . . 0.0 112.21 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -118.93 125.37 49.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.61 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 31.9 ttpt -94.56 116.88 29.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.299 0.571 . . . . 0.0 110.365 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.465 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.7 t -105.48 111.76 36.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.15 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 165' ' ' LYS . 9.0 mp -79.15 113.8 17.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.139 0.495 . . . . 0.0 110.586 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 50' ' ' LEU . 31.2 tp -81.11 100.67 9.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.822 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.492 ' HA ' HD23 ' A' ' 52' ' ' LEU . 13.0 t -163.53 -169.95 2.09 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.5 ' HG2' ' OXT' ' A' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.724 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 57.8 Cg_exo -40.61 106.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.607 2.872 . . . . 0.0 113.783 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -85.13 -42.95 14.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.442 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.721 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 87.4 m-85 -76.12 -52.79 2.41 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.375 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 22.3 Cg_exo -65.5 123.28 11.21 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 0.0 111.434 176.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -172.11 -47.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.568 -173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -11.1 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.106 -170.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.32 -27.3 65.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -67.64 -30.19 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.46 -13.61 56.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.97 0.414 . . . . 0.0 110.705 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.69 26.95 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -80.36 148.69 30.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -101.88 142.15 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 111.202 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -103.6 -6.04 22.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.44 138.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.755 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -179.51 158.76 22.89 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.69 -1.73 22.8 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.952 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -59.46 132.4 51.72 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.208 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.1 t -119.84 120.3 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.7 mt -108.96 123.12 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.97 0.414 . . . . 0.0 110.719 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -113.46 104.87 12.71 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -114.38 140.23 16.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.678 -172.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -115.74 114.8 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 35.6 tp -93.16 115.26 27.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.73 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 30.4 p90 -159.65 118.5 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.825 172.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 169' ' ' THR . 80.7 mt -99.02 122.17 41.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.297 -174.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -74.51 125.16 27.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.339 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -80.77 171.06 15.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.957 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.73 63.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.284 0.564 . . . . 0.0 110.386 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 p -87.72 -9.28 54.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.588 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 9.15 86.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.153 -176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.594 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -60.64 -47.57 85.63 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 67.8 mt 77.92 127.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.708 0.63 . . . . 0.0 111.539 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 20.1 mm-40 -120.94 123.19 41.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.951 173.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.602 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 25.0 mmtt -65.7 -78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.733 0.302 . . . . 0.0 111.667 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.07 73.51 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.338 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 115' ' ' GLN . 2.1 p -85.81 104.99 16.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.563 -176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.61 71.38 0.5 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.48 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.506 HG21 ' HB2' ' A' ' 135' ' ' LEU . 15.2 m -129.84 150.55 51.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.888 -173.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 133' ' ' SER . 33.1 mttm -79.69 111.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.986 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 89.8 t -105.76 100.01 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 168.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.31 119.17 32.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 131' ' ' ILE . 66.2 tp -107.26 111.18 23.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.274 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.571 ' HB3' HG22 ' A' ' 108' ' ' VAL . 13.7 pt-20 -130.2 146.31 61.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.906 0.384 . . . . 0.0 110.923 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.88 141.43 58.82 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.069 2.513 . . . . 0.0 112.544 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 99.95 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.295 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.0 p -102.82 168.24 9.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 8.4 m -74.17 -30.06 62.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 77.4 t80 -68.24 -41.78 80.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.795 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 tpt -86.6 -7.42 58.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.835 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.39 -41.79 80.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.85 59.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.201 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -69.75 -46.45 65.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -73.8 -9.89 59.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.327 0.584 . . . . 0.0 109.817 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.26 -55.82 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.076 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.2 -101.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.502 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.86 -114.28 6.17 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.987 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.23 96.6 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 7.9 tt -124.89 106.25 9.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.135 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.526 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 15.6 t70 -67.49 163.0 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.729 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.35 64.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.691 175.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.72 60.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.096 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.558 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 51.1 mtpt -102.76 8.86 39.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.0 109.975 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' A' ' 86' ' ' LEU . 27.7 tpt180 -69.27 112.27 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.141 -174.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 12.2 t70 -118.3 123.01 29.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 97.5 Cg_endo -93.42 5.07 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.174 2.583 . . . . 0.0 113.778 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -100.6 -39.05 8.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.285 -0.26 . . . . 0.0 110.827 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.39 106.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 0.0 110.537 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 52.8 mt-30 -84.1 139.23 39.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.74 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 19.6 Cg_exo -66.49 114.22 3.0 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 110.657 172.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.72 159.99 26.49 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.859 2.372 . . . . 0.0 112.814 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.43 110.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.033 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.98 -172.66 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.681 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.6 t70 -64.03 129.31 93.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.382 -174.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -79.26 -16.8 12.02 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.893 2.395 . . . . 0.0 113.674 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -67.34 -15.47 63.71 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.546 0.212 . . . . 0.0 111.514 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.1 ptm85 -61.95 -22.9 66.02 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.787 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.27 70.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.008 0.432 . . . . 0.0 110.427 176.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -95.9 -31.23 13.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.919 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' ARG . 15.5 m-85 -75.21 -41.5 57.57 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 70' ' ' GLU . 52.2 t -74.27 119.16 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.31 124.2 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.983 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.36 124.82 47.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.858 0.361 . . . . 0.0 110.649 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.15 109.35 19.37 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.965 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 m -82.5 101.31 10.62 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 119' ' ' PHE . 12.3 p -60.29 128.01 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.748 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -66.9 171.68 5.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 0.0 109.65 174.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.546 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.3 mt-30 -57.18 -18.25 14.72 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.441 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -65.01 -30.97 71.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 111.029 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.77 6.97 75.59 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -100.56 146.32 27.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.775 0.322 . . . . 0.0 110.924 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HB3' HG22 ' A' ' 113' ' ' THR . 51.7 p90 -140.93 140.94 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.0 147.74 50.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.703 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.576 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 57.3 m-85 -141.15 150.17 42.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 176.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 2.8 p30 -150.09 -177.14 5.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.621 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 63.37 35.94 11.89 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 123.47 0.481 . . . . 0.0 109.81 -174.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.41 119.21 63.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.267 -175.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.62 131.69 26.78 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.14 1.894 . . . . 0.0 110.249 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -63.79 130.06 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.409 0.623 . . . . 0.0 111.364 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 -166.33 39.48 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.912 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.5 p -97.39 125.55 42.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.573 0.225 . . . . 0.0 111.239 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -130.83 148.37 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 111.338 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 155' ' ' LEU . 44.5 m-85 -101.41 120.63 40.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.003 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 69' ' ' LEU . 69.1 mt -95.92 104.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 t -111.52 113.76 26.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.435 -176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 15.1 p -115.81 130.49 56.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -99.54 100.62 11.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.138 0.494 . . . . 0.0 110.118 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 65' ' ' THR . 59.8 tp -140.13 107.66 5.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.854 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.2 t -126.46 137.28 53.38 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.9 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -132.14 170.98 14.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.589 -175.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 p -123.12 125.31 44.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.639 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.06 151.69 30.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.71 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -109.42 117.73 34.78 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.23 0.538 . . . . 0.0 111.571 -173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 144' ' ' LYS . 6.7 t -103.64 -173.99 2.44 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 171.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.73 98.25 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.492 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 81.93 -3.06 81.79 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.743 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 141' ' ' SER . 74.5 mmtt -127.06 108.52 11.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 47.2 m -91.13 102.19 14.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.3 pt -91.76 137.99 20.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.041 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.1 m -107.05 111.96 24.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.971 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 36.8 mt-10 -105.42 177.82 4.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.455 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.35 -136.96 16.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.299 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.68 -125.4 6.0 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.5 m -120.81 105.1 10.4 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.087 0.47 . . . . 0.0 109.77 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.4 p -102.19 128.56 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.051 0.453 . . . . 0.0 110.512 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 32.0 m -119.09 121.22 39.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -109.48 119.73 40.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.5 tp -80.64 111.67 17.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.208 0.528 . . . . 0.0 110.318 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.9 129.97 63.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.02 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.4 t -107.98 91.83 3.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.769 0.795 . . . . 0.0 110.249 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.24 98.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.1 m -96.71 -12.33 23.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -135.29 163.31 24.89 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.674 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' SER . . . . . 0.479 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.4 m -87.28 15.9 5.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.302 0.572 . . . . 0.0 110.957 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -84.39 156.64 62.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.998 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.13 111.95 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.856 2.371 . . . . 0.0 112.794 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -97.13 106.93 19.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -85.51 118.93 25.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.906 0.384 . . . . 0.0 110.108 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' VAL . . . . . 0.441 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 83.9 t -114.93 114.94 47.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.086 -176.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.34 106.47 18.47 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 14.3 tp -87.89 92.87 9.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.5 t -141.93 167.95 20.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.9 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 6.4 ptm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.828 -176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.726 -0.55 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.4 m -63.88 -54.15 39.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.625 0.25 . . . . 0.0 110.641 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.7 t 63.08 88.71 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.425 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -87.58 108.95 19.3 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 172.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 p80 -139.49 -179.68 6.04 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.347 0.594 . . . . 0.0 112.02 -168.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -112.78 -160.7 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 174.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.3 m80 -72.25 134.83 45.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 173.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.0 t-80 -73.18 -26.25 61.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.227 0.537 . . . . 0.0 109.603 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -143.92 114.93 7.85 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.454 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.9 m -72.92 116.41 13.39 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.448 178.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 47.9 m -118.52 13.73 13.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.901 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 76.05 -124.3 7.3 Favored Glycine 0 N--CA 1.447 -0.585 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.459 178.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 59.4 tp -91.59 -55.64 3.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.115 0.483 . . . . 0.0 110.102 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.48 124.8 1.51 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.04 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.65 141.35 49.75 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.379 2.053 . . . . 0.0 111.936 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.4 mtm105 65.64 89.17 0.1 Allowed 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.805 0.691 . . . . 0.0 110.921 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.85 -164.65 28.62 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.57 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.5 m -154.26 -169.87 3.37 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.454 ' HB2' ' OG ' ' A' ' 22' ' ' SER . 97.5 m-70 -86.29 -91.39 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.613 -0.435 . . . . 0.0 109.887 178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.503 ' C ' ' H ' ' A' ' 22' ' ' SER . 66.2 mtt -138.55 83.55 1.97 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 71.96 -31.4 0.23 Allowed 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.994 0.809 . . . . 0.0 110.705 -171.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.503 ' H ' ' C ' ' A' ' 20' ' ' MET . 5.3 p -69.78 125.58 27.16 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.135 176.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.453 HD22 ' ND2' ' A' ' 25' ' ' ASN . 24.8 p-10 -77.66 147.01 74.06 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.394 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -92.2 21.14 0.75 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.805 2.336 . . . . 0.0 113.677 -176.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.641 ' HA ' HG13 ' A' ' 99' ' ' VAL . 97.2 m-20 -63.34 -56.3 17.47 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.6 t70 62.57 20.53 12.05 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.733 171.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HB3' ' HD3' ' A' ' 28' ' ' PRO . 2.1 tt -87.81 -54.37 0.36 Allowed Pre-proline 0 CA--C 1.539 0.533 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.024 -177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.694 ' HB3' ' HA ' ' A' ' 75' ' ' TYR . 95.0 Cg_endo -84.69 149.27 11.22 Favored 'Trans proline' 0 C--N 1.352 0.756 0 C-N-CA 121.908 1.739 . . . . 0.0 112.576 178.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -80.54 -37.13 32.09 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.27 0.557 . . . . 0.0 110.358 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -88.13 155.16 52.29 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.809 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.13 131.12 43.97 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.769 2.313 . . . . 0.0 112.303 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.451 ' CD ' HD21 ' A' ' 23' ' ' ASN . 10.1 pt-20 -93.11 18.22 9.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.418 0.627 . . . . 0.0 110.43 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -49.79 -22.66 1.5 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 114.809 -1.087 . . . . 0.0 112.604 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.47 -9.79 21.01 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -171.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.465 ' CE1' ' HG2' ' A' ' 104' ' ' ARG . 45.5 m-85 -61.65 -41.59 97.73 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.002 0.43 . . . . 0.0 110.53 174.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.05 21.88 8.22 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.52 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.49 -32.59 7.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.546 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -80.68 84.87 6.15 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.977 0.894 . . . . 0.0 110.734 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -139.94 118.69 12.4 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.0 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.464 ' O ' ' HB3' ' A' ' 125' ' ' PRO . 23.5 tt0 178.42 110.13 0.03 OUTLIER 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.4 p -55.02 109.72 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.381 0.61 . . . . 0.0 109.998 170.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.512 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -111.92 179.52 19.62 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.565 -176.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -130.68 28.1 3.8 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.967 -0.635 . . . . 0.0 111.741 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -72.97 96.31 0.77 Allowed Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.677 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -78.04 112.41 16.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.9 mt -104.06 126.26 58.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.715 -176.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -115.86 99.65 7.44 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -112.37 131.28 10.06 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.472 -0.87 . . . . 0.0 112.97 -173.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -107.51 120.38 42.03 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.77 123.57 43.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -172.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 14.5 p90 -174.74 123.02 0.26 Allowed 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 121.017 0.437 . . . . 0.0 110.886 176.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 HD23 ' HA ' ' A' ' 169' ' ' THR . 70.6 mt -98.91 126.45 44.59 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 175.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.56 127.63 34.5 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.354 -0.538 . . . . 0.0 110.454 -178.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.8 t -70.14 161.24 30.57 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.14 -16.4 52.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.347 0.594 . . . . 0.0 110.602 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.77 -10.83 59.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.196 179.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 93.51 -9.64 73.79 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.348 -0.929 . . . . 0.0 111.6 -175.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.69 131.65 45.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.738 0.304 . . . . 0.0 110.401 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.79 109.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.141 0.496 . . . . 0.0 111.605 -175.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -99.33 108.76 21.36 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.558 ' HA ' ' HA ' ' A' ' 51' ' ' TYR . 25.9 mttt -71.63 -71.73 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -176.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.83 85.8 0.08 OUTLIER Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.289 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.453 HG23 ' HA ' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -89.7 129.85 36.06 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -177.276 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 58.78 33.69 23.23 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.691 0.758 . . . . 0.0 109.996 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.2 m -105.57 134.83 48.05 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.642 -176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttm -89.97 113.26 24.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.042 0.449 . . . . 0.0 111.647 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.9 t -89.87 109.89 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.769 174.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' HB1' HG13 ' A' ' 108' ' ' VAL . . . -98.22 118.7 35.44 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.064 0.459 . . . . 0.0 110.998 -178.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 64.6 tp -100.36 100.5 11.29 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.0 177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.508 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -122.23 150.02 55.98 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.982 -176.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 19.8 Cg_exo -66.18 143.22 70.37 Favored 'Trans proline' 0 C--O 1.237 0.465 0 C-N-CA 122.94 2.427 . . . . 0.0 113.134 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.92 97.6 10.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.866 176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -102.19 170.63 7.98 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.059 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.3 p -60.29 -26.32 66.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.876 176.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.694 ' HA ' ' HB3' ' A' ' 28' ' ' PRO . 56.6 t80 -60.93 -35.28 76.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.374 176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.648 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -65.94 -39.75 90.77 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 175.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.05 -38.24 19.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.985 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -66.9 -47.23 72.42 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.5 -176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -65.79 -35.85 81.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.612 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.23 -32.15 72.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.244 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.8 mmmm -74.22 -58.34 3.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.813 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -108.28 -84.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.608 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 57.22 -113.16 4.19 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.228 -0.511 . . . . 0.0 112.416 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.565 ' HA ' ' O ' ' A' ' 151' ' ' THR . 94.0 m-20 -87.03 96.18 10.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.0 0.429 . . . . 0.0 110.189 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.505 HD21 ' HA ' ' A' ' 91' ' ' ARG . 2.9 tt -123.16 120.02 31.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.269 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.7 147.81 52.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.243 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -63.89 -18.26 64.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.21 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.32 -13.44 62.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.1 pttm -133.12 31.48 3.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.224 0.535 . . . . 0.0 110.142 176.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.533 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 8.9 tpt180 -76.0 87.11 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.775 178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -81.38 124.37 80.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.916 -176.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -95.92 11.54 1.36 Allowed 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 123.329 2.686 . . . . 0.0 113.498 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -106.87 -39.45 5.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.781 0.324 . . . . 0.0 110.953 -177.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 82.9 t -61.25 111.79 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.469 177.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.414 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 17.2 pt20 -82.94 128.7 64.51 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.933 -177.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 3.7 Cg_exo -75.25 152.36 39.52 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 122.887 2.391 . . . . 0.0 111.652 174.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.7 173.74 12.14 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.665 2.244 . . . . 0.0 111.547 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.641 HG13 ' HA ' ' A' ' 25' ' ' ASN . 4.0 p -71.43 115.24 11.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.285 0.564 . . . . 0.0 110.305 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HA ' ' OH ' ' A' ' 75' ' ' TYR . 74.2 mt -82.21 149.84 27.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.773 -178.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.465 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 4.0 t70 -62.53 125.82 86.87 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.464 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 12.8 Cg_exo -70.19 -17.75 35.4 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.051 2.501 . . . . 0.0 112.972 -179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.401 ' HB3' ' OD2' ' A' ' 101' ' ' ASP . 25.1 tpt180 -70.94 -26.54 63.22 Favored 'General case' 0 C--O 1.24 0.604 0 CA-C-O 121.181 0.515 . . . . 0.0 109.867 -178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.618 ' O ' HG23 ' A' ' 108' ' ' VAL . 54.3 mtp85 -57.18 -37.73 72.56 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.038 174.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.09 -22.94 63.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.789 0.328 . . . . 0.0 111.479 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -84.3 -39.21 19.47 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.922 0.392 . . . . 0.0 110.426 176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.7 m-85 -81.63 -21.42 38.26 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 -177.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 104' ' ' ARG . 57.5 t -68.53 103.88 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.405 0.622 . . . . 0.0 110.751 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 109' ' ' ARG . 12.3 mtm180 -91.94 121.01 33.13 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.192 -0.913 . . . . 0.0 108.972 175.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -101.9 125.03 48.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.934 0.397 . . . . 0.0 111.418 -172.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -114.27 99.05 7.31 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.432 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 11.0 m -82.13 112.07 18.84 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.212 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.3 p -75.39 112.47 11.74 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.391 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -61.96 -77.72 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.217 -175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.453 ' HA ' HG23 ' A' ' 63' ' ' THR . 53.3 tt0 -135.95 -36.09 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.737 -176.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.91 -18.83 64.9 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.513 -176.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.32 33.06 81.21 Favored Glycine 0 C--O 1.227 -0.286 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.472 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -137.25 144.31 42.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -136.46 155.61 49.76 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.509 -176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -138.5 152.81 48.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.025 0.441 . . . . 0.0 110.654 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.45 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 72.6 m-85 -133.09 166.45 22.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.465 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -155.19 150.03 26.61 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.512 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 19.0 m80 61.32 64.9 1.02 Allowed 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.642 0.589 . . . . 0.0 111.987 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.08 134.23 26.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.692 -0.686 . . . . 0.0 110.016 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.464 ' HB3' ' O ' ' A' ' 40' ' ' GLN . 28.4 Cg_endo -65.24 160.98 39.55 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.774 2.316 . . . . 0.0 112.7 176.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -81.76 159.28 23.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.319 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 146.28 -159.3 27.94 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.624 -0.798 . . . . 0.0 111.883 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -113.46 127.74 56.21 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -128.24 162.32 27.27 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.25 0.548 . . . . 0.0 111.558 -175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.72 124.69 52.89 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.248 -0.887 . . . . 0.0 109.456 172.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 153' ' ' THR . 58.4 mt -95.72 107.83 20.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 172.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.422 ' OG ' ' HB3' ' A' ' 68' ' ' ALA . 15.4 p -98.77 126.72 44.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.225 0.536 . . . . 0.0 110.771 -176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.0 p -149.99 120.8 7.59 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.403 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -90.22 91.34 8.48 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.11 0.481 . . . . 0.0 109.939 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -116.17 116.6 28.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.123 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.3 t -139.76 149.86 44.08 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.216 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -140.83 133.47 28.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.947 178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.1 t -112.2 104.11 12.29 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.212 0.529 . . . . 0.0 110.062 -179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.89 163.7 15.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.764 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.55 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 14.6 mt-30 -96.14 131.59 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 142' ' ' ASP . 9.1 t -120.46 117.77 28.55 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 -178.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.43 ' HB3' ' O ' ' A' ' 141' ' ' SER . 18.7 t70 72.97 -46.74 0.66 Allowed 'General case' 0 N--CA 1.469 0.477 0 O-C-N 123.859 0.724 . . . . 0.0 110.915 -174.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -179.2 -29.19 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.213 179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -93.11 142.43 27.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.857 0.361 . . . . 0.0 110.416 -177.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 2.4 m -83.78 106.92 15.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.167 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 39.7 pt -95.35 160.01 2.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.8 m -123.59 102.51 7.89 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 0.0 110.376 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.35 159.49 14.92 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.834 -175.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 84.28 -157.56 33.43 Favored Glycine 0 N--CA 1.444 -0.812 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.711 -178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 146.75 -138.27 7.25 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.565 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 40.6 p -89.4 102.08 14.76 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 117.228 0.514 . . . . 0.0 110.233 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.0 p -101.39 116.98 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 CA-C-O 121.848 0.833 . . . . 0.0 110.27 178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.437 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 3.2 m -117.46 122.5 43.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.909 -1.041 . . . . 0.0 108.464 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.715 ' HD2' ' HG ' ' A' ' 168' ' ' LEU . 46.4 tttm -109.07 130.4 55.48 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.818 -173.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 48.9 tp -80.28 106.07 12.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.62 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 60.0 t -123.23 117.66 52.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.854 -176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.9 t -93.21 127.24 38.71 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.346 0.593 . . . . 0.0 109.792 174.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.19 107.12 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.326 -178.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 34.6 p -122.85 3.52 9.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.165 0.507 . . . . 0.0 110.306 177.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -99.92 115.91 5.44 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.457 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 23.9 m -82.94 -17.53 43.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.435 0.636 . . . . 0.0 109.906 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.425 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 95.8 mt-30 -95.68 162.71 23.35 Favored Pre-proline 0 C--N 1.324 -0.525 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 174.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 92.5 Cg_exo -43.3 105.14 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 0 C-N-CA 123.09 2.527 . . . . 0.0 112.772 -179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -95.03 103.65 15.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.4 -175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -78.92 117.65 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.534 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 62.1 t -126.48 137.84 56.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.389 -177.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.466 HD13 ' OH ' ' A' ' 51' ' ' TYR . 34.8 mt -111.11 126.33 54.71 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.715 ' HG ' ' HD2' ' A' ' 154' ' ' LYS . 6.0 tt -106.18 98.84 8.46 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.215 0.531 . . . . 0.0 109.691 176.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.54 ' HA ' HD23 ' A' ' 52' ' ' LEU . 1.6 t -136.27 3.47 2.86 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.669 -1.15 . . . . 0.0 109.121 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.488 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 18.0 ttm180 . . . . . 0 C--O 1.249 1.038 0 CA-C-N 113.441 -1.709 . . . . 0.0 108.835 -175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.796 0 N-CA-C 111.646 -0.582 . . . . 0.0 111.646 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -165.47 164.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.834 0.349 . . . . 0.0 110.346 -178.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.6 m -77.35 85.49 3.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.615 178.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -89.22 95.84 10.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.896 0.855 . . . . 0.0 109.237 174.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -87.09 -48.27 8.21 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.628 -175.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 177.12 147.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -63.62 150.95 42.98 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.145 175.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -72.76 80.11 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.479 0.657 . . . . 0.0 111.288 -173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.3 t60 -136.77 -6.54 1.91 Allowed 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.095 -0.957 . . . . 0.0 108.819 171.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -81.08 80.79 7.48 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.514 -0.767 . . . . 0.0 108.983 177.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.0 t -84.86 169.28 14.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.882 -176.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 88.64 48.21 4.02 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.469 -0.872 . . . . 0.0 110.996 -175.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' C ' ' HD3' ' A' ' 15' ' ' PRO . 6.5 mp -80.99 85.57 6.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.205 0.526 . . . . 0.0 109.888 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 m -130.68 65.26 75.91 Favored Pre-proline 0 C--N 1.319 -0.723 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.942 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.401 ' HD3' ' C ' ' A' ' 13' ' ' LEU . 4.4 Cg_exo -80.1 128.91 7.58 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.926 2.418 . . . . 0.0 112.81 -174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.04 -12.63 0.54 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.374 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -137.54 69.95 0.49 Allowed Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.11 -0.566 . . . . 0.0 111.732 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.1 m -83.65 30.21 0.5 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.959 0.409 . . . . 0.0 111.655 -175.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -142.2 14.46 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.8 mmt 63.96 178.46 0.17 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.858 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.86 102.87 15.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.8 m -71.34 -50.59 30.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -158.4 121.16 2.03 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 -177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.55 -177.91 2.37 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.689 2.259 . . . . 0.0 112.584 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -75.19 168.5 19.87 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -54.04 -75.03 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.428 0.632 . . . . 0.0 110.871 -179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.0 mt -141.95 153.38 63.99 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.124 -0.944 . . . . 0.0 109.189 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -66.77 160.67 45.48 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.446 2.098 . . . . 0.0 111.995 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -81.23 94.61 6.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.111 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -141.99 129.09 11.36 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.914 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.79 119.29 5.82 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HB3' ' HD2' ' A' ' 35' ' ' TYR . 1.8 mp0 -72.65 89.24 1.31 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.265 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -95.45 -30.44 13.87 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.988 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB2' HG22 ' A' ' 73' ' ' THR . 3.2 mp0 -61.2 -32.8 72.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.51 0.195 . . . . 0.0 111.306 -177.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.552 ' HD2' ' HB3' ' A' ' 32' ' ' GLU . 94.0 m-85 -69.06 -13.95 62.74 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.8 0.333 . . . . 0.0 111.156 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -106.22 -2.57 22.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.135 0.493 . . . . 0.0 110.227 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -110.26 4.21 20.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.852 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -73.98 98.47 3.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.413 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.507 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 98.8 mt-30 -137.84 -165.29 1.76 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.322 -176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.507 ' HB2' ' O ' ' A' ' 39' ' ' GLN . 49.6 mt-30 79.31 113.41 0.07 Allowed 'General case' 0 CA--C 1.517 -0.321 0 O-C-N 124.101 0.876 . . . . 0.0 110.678 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.2 t -61.39 104.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.913 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.611 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -64.03 127.96 36.35 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.789 -0.642 . . . . 0.0 113.558 -170.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.12 -2.34 16.04 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.723 174.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.64 153.26 42.18 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.867 178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 45.8 t -124.23 125.69 70.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.688 0.28 . . . . 0.0 110.351 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.574 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 67.1 mt -101.42 125.54 55.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.912 0.387 . . . . 0.0 110.367 177.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.451 ' OD1' ' HB3' ' A' ' 163' ' ' PRO . 14.3 m120 -102.77 103.47 13.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.593 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.558 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.19 129.11 8.87 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 119.964 -1.112 . . . . 0.0 112.842 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -117.28 119.69 35.92 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 174.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.54 HD13 HD23 ' A' ' 168' ' ' LEU . 51.6 tp -96.71 126.2 41.7 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.548 -177.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 2.0 p90 -170.85 109.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.914 175.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' HD23 ' A' ' 135' ' ' LEU . 77.3 mt -98.5 134.84 40.9 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 120.752 0.311 . . . . 0.0 110.345 -175.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.0 p -85.62 130.34 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.105 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.3 p -86.18 177.57 7.47 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.248 176.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.8 -21.61 66.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.813 0.34 . . . . 0.0 111.712 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.5 p -87.25 -5.1 59.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.856 0.36 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.31 9.73 66.76 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.416 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.62 157.74 27.22 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.416 ' CG2' ' HB2' ' A' ' 51' ' ' TYR . 61.4 mt -112.56 112.31 39.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.053 0.454 . . . . 0.0 110.922 -178.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -98.3 104.55 16.6 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 174.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.537 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 36.8 mmtt -59.67 -65.15 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.837 -177.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.19 93.1 2.25 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.423 -0.894 . . . . 0.0 111.362 -175.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.446 HG23 ' HA ' ' A' ' 115' ' ' GLN . 10.2 m -100.5 128.97 46.4 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 110.46 -0.2 . . . . 0.0 110.46 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 65.38 30.56 10.93 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.275 0.56 . . . . 0.0 110.798 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.2 m -89.12 143.51 26.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.637 -179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -97.63 119.15 35.69 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.317 0.579 . . . . 0.0 111.073 -176.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.9 t -100.53 124.94 54.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.093 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.92 118.08 35.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.866 0.365 . . . . 0.0 110.528 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 57.7 tp -102.08 109.53 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.113 178.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.665 ' HG3' ' HB2' ' A' ' 130' ' ' TYR . 8.3 pt-20 -119.42 145.9 39.82 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.635 -178.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 22.5 Cg_exo -65.14 124.18 12.63 Favored 'Trans proline' 0 C--O 1.238 0.491 0 C-N-CA 122.518 2.145 . . . . 0.0 111.849 177.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.498 ' HB3' ' HB ' ' A' ' 128' ' ' THR . . . -66.61 113.88 5.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.181 0.515 . . . . 0.0 109.853 179.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 34' ' ' GLU . 1.0 OUTLIER -128.23 142.21 51.23 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.776 -173.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.1 p -63.91 -23.21 67.26 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.092 0.472 . . . . 0.0 110.991 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -60.45 -26.59 66.87 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.089 175.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.906 ' HG3' HH21 ' A' ' 104' ' ' ARG . 91.1 mmm -97.48 2.16 49.93 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.502 -175.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.7 tttm -64.08 -31.26 72.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.582 -176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.37 -35.99 24.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.919 177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -62.17 -40.52 96.29 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.354 -0.385 . . . . 0.0 109.988 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -55.03 -34.52 63.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.163 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.91 -21.95 65.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.65 -176.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.79 -38.39 19.65 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.118 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -127.15 -94.48 0.45 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.944 -177.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.59 -134.41 44.55 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.36 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.558 ' HA ' ' O ' ' A' ' 151' ' ' THR . 2.1 p30 -81.41 87.37 6.18 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.609 0.718 . . . . 0.0 109.999 176.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 ' O ' ' A' ' 87' ' ' ASP . 10.2 tt -127.09 127.84 45.28 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.96 -175.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.54 ' O ' HD23 ' A' ' 86' ' ' LEU . 7.0 m-20 -59.41 136.34 57.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.736 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.454 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -53.02 -34.18 55.19 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -174.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -72.27 -12.81 61.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.892 -178.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -101.51 -6.47 23.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.598 0.237 . . . . 0.0 110.577 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.4 ttp180 -66.98 102.94 1.05 Allowed 'General case' 0 C--O 1.234 0.237 0 CA-C-O 121.503 0.668 . . . . 0.0 110.188 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.505 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 26.1 t0 -92.56 123.09 62.92 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.054 -0.975 . . . . 0.0 110.799 -173.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 32.0 Cg_exo -59.52 -24.31 74.44 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.17 2.58 . . . . 0.0 113.033 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.505 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 13.3 t70 -62.66 -34.32 76.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.224 0.535 . . . . 0.0 110.517 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -82.2 103.16 8.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.193 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 20.3 pt20 -95.89 139.83 22.02 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.308 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 15.9 Cg_exo -68.81 124.45 11.48 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.798 2.332 . . . . 0.0 111.631 176.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -60.03 151.44 72.23 Favored 'Trans proline' 0 C--O 1.234 0.28 0 C-N-CA 122.837 2.358 . . . . 0.0 112.241 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.44 112.56 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.649 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.536 HD13 ' HG3' ' A' ' 104' ' ' ARG . 95.1 mt -85.07 173.36 10.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.151 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 104' ' ' ARG . 13.2 t70 -75.71 139.24 70.25 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.62 175.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.44 -29.35 48.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.416 2.744 . . . . 0.0 113.219 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.5 mtm180 -65.2 -17.74 64.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.564 0.221 . . . . 0.0 111.355 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.906 HH21 ' HG3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -56.45 -48.49 76.94 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 174.108 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.63 -16.77 64.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.66 -176.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.4 m -85.33 -33.74 22.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.978 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -94.84 -22.76 17.83 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 104' ' ' ARG . 59.5 t -76.85 99.39 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 121.081 0.467 . . . . 0.0 110.564 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -87.93 139.73 30.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.676 -179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -112.9 121.84 45.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.721 -175.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.11 129.83 56.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.659 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.3 m -90.04 127.31 36.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 177.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.4 p -67.27 139.64 57.32 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.185 0.516 . . . . 0.0 111.467 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.418 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 12.5 t70 -67.07 173.73 3.54 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.414 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.446 ' HA ' HG23 ' A' ' 63' ' ' THR . 9.8 tt0 -53.21 -35.73 60.22 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.159 177.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.453 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 65.3 t30 -87.97 11.65 15.34 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.087 -178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 72.36 18.6 78.34 Favored Glycine 0 C--N 1.33 0.223 0 C-N-CA 120.705 -0.759 . . . . 0.0 111.561 -178.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -90.87 138.52 31.53 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.521 -0.34 . . . . 0.0 110.524 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.439 ' HE1' ' HB2' ' A' ' 50' ' ' LEU . 39.1 p90 -144.33 123.88 13.22 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.206 0.527 . . . . 0.0 109.934 174.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -113.79 136.49 52.81 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.347 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.574 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 76.1 m-85 -114.87 111.86 21.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.444 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -98.38 168.5 10.17 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 173.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.611 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 50.5 m80 62.47 56.17 2.13 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.365 0.603 . . . . 0.0 110.632 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.546 HD11 ' HB3' ' A' ' 121' ' ' PHE . 50.1 mm -113.28 110.31 50.85 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.609 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_endo -72.18 157.93 52.98 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.287 1.991 . . . . 0.0 110.928 171.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.72 130.66 41.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.153 0.501 . . . . 0.0 111.583 -177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.31 -173.52 42.47 Favored Glycine 0 N--CA 1.447 -0.594 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.138 -177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.498 ' HB ' ' HB3' ' A' ' 72' ' ' ALA . 3.4 m -99.42 141.84 31.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 117.229 0.514 . . . . 0.0 110.18 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -134.27 150.95 51.04 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.174 0.511 . . . . 0.0 111.99 -176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.665 ' HB2' ' HG3' ' A' ' 70' ' ' GLU . 28.1 m-85 -107.41 118.26 36.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.214 171.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.5 HD12 HG11 ' A' ' 166' ' ' VAL . 71.2 mt -95.48 107.65 19.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.5 m -114.56 121.91 44.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.585 -176.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 11.9 t -145.68 141.2 27.86 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 57.0 tt0 -104.88 102.7 12.22 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.203 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.419 HD23 ' HG ' ' A' ' 52' ' ' LEU . 50.6 tp -109.38 115.01 29.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.083 0.468 . . . . 0.0 109.828 177.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 11.9 p -122.57 146.75 47.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.815 -179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.521 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.7 p90 -139.88 152.47 46.46 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.548 ' OG ' HG22 ' A' ' 145' ' ' THR . 7.1 t -105.8 123.89 48.68 Favored 'General case' 0 C--N 1.315 -0.908 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.09 142.86 45.25 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.428 -173.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -85.59 123.36 30.92 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 177.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.3 t -140.26 98.23 3.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.082 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 65.22 41.06 4.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.941 173.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 87.24 -20.48 25.86 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.961 -0.638 . . . . 0.0 112.459 178.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -89.63 123.76 33.97 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.548 HG22 ' OG ' ' A' ' 138' ' ' SER . 1.2 m -90.43 101.49 14.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.951 177.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.5 pt -90.55 172.62 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.855 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.2 m -123.69 121.05 34.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.389 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.521 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 49.3 mt-10 -113.79 163.39 15.11 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 105.58 -162.11 14.37 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.007 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.454 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 153.86 -159.77 28.94 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.765 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.558 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 21.7 p -88.56 102.56 15.06 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.923 0.392 . . . . 0.0 110.659 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -92.53 118.46 38.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.37 0.605 . . . . 0.0 110.06 178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 22.7 m -103.87 118.9 37.77 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.154 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.481 ' HB2' HD13 ' A' ' 168' ' ' LEU . 30.5 tptt -109.37 119.98 41.11 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.724 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.8 tp -84.47 121.19 27.23 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 81.6 t -129.69 128.57 65.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 -177.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.0 m -107.64 114.19 28.0 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 175.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.57 93.18 3.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.962 0.411 . . . . 0.0 110.508 -177.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.8 p -107.23 28.13 8.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.308 0.575 . . . . 0.0 110.693 178.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -148.98 159.13 27.92 Favored Glycine 0 N--CA 1.444 -0.815 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.616 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 19.3 m -94.66 -26.96 16.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.012 0.435 . . . . 0.0 110.474 178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -69.33 151.01 97.06 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.187 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 68.2 Cg_exo -40.91 118.49 0.66 Allowed 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 123.938 3.092 . . . . 0.0 113.728 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -96.02 114.85 26.6 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.367 177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -83.74 117.42 23.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.035 0.445 . . . . 0.0 110.435 -176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.558 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.2 t -123.05 118.64 55.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.31 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.75 108.45 19.75 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.098 0.475 . . . . 0.0 110.297 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.54 HD23 HD13 ' A' ' 50' ' ' LEU . 26.9 tp -88.5 82.71 6.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 9.9 t -124.84 -16.56 6.12 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.198 -175.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 68.7 ttt180 . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.114 -0.948 . . . . 0.0 108.655 -177.12 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.208 -0.357 . . . . 0.0 112.208 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p -76.82 -49.18 16.42 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 p -147.6 177.04 9.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.812 -1.085 . . . . 0.0 108.312 172.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -89.27 22.33 2.91 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.242 0.544 . . . . 0.0 111.23 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.561 ' HB3' ' O ' ' A' ' 8' ' ' HIS . 24.9 m-70 -83.59 86.12 7.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 171.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.935 0.398 . . . . 0.0 111.893 -173.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -112.06 -48.82 3.01 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.361 -0.978 . . . . 0.0 108.361 167.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.561 ' O ' ' HB3' ' A' ' 5' ' ' HIS . 89.6 m-70 -136.0 146.06 46.77 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 166.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -93.5 -58.63 2.23 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.043 -179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m 57.5 38.83 28.2 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 123.508 0.505 . . . . 0.0 111.682 173.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.3 t -72.88 85.41 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 109.795 177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -76.21 107.52 2.36 Favored Glycine 0 N--CA 1.445 -0.705 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.764 -177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.39 -32.29 73.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.341 0.591 . . . . 0.0 109.666 175.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 9.0 m -97.41 107.74 40.65 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.774 173.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 14' ' ' VAL . 16.8 Cg_exo -68.44 -24.56 36.47 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.815 2.343 . . . . 0.0 112.344 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -159.53 169.56 23.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.939 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.0 90.68 1.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 m -62.72 -44.65 95.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.057 0.456 . . . . 0.0 110.641 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -141.09 118.35 11.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.996 179.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.1 mmt -75.96 146.24 39.75 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.681 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 62.83 89.94 0.08 Allowed 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.708 0.63 . . . . 0.0 111.18 -176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.1 p -73.03 -172.65 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.572 178.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.486 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 64.1 t30 -65.38 114.3 15.0 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 23' ' ' ASN . 21.7 Cg_exo -64.75 90.47 0.19 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.367 2.711 . . . . 0.0 114.352 -168.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 51.52 56.53 7.75 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.519 170.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.36 90.91 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.373 179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD11 ' HG3' ' A' ' 98' ' ' PRO . 94.1 mt 67.12 93.79 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.503 -1.226 . . . . 0.0 110.39 -178.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -70.15 149.17 64.03 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.918 2.412 . . . . 0.0 112.088 -175.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -83.81 77.48 9.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.468 0.651 . . . . 0.0 110.651 -175.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -97.46 165.02 16.42 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.877 176.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -65.41 -18.89 61.09 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.705 2.27 . . . . 0.0 112.448 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 69.21 17.86 8.27 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.873 0.844 . . . . 0.0 109.699 177.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 12.2 t60 -91.33 -7.03 52.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 -176.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.48 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 4.7 mp0 -67.25 -19.97 65.59 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.176 -0.92 . . . . 0.0 111.153 -175.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -67.77 -22.56 65.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.003 0.43 . . . . 0.0 110.764 177.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' GLN . . . -88.1 4.57 44.87 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.722 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -92.44 11.82 24.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.336 -178.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.9 t -129.11 18.8 5.99 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.051 0.453 . . . . 0.0 110.469 179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 36' ' ' ALA . 4.0 pt20 -98.41 23.77 8.09 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.989 -174.254 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -91.61 -111.75 0.09 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.85 0.357 . . . . 0.0 111.069 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.1 t -132.03 149.35 32.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -139.94 155.63 24.49 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.422 -0.894 . . . . 0.0 112.507 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -148.65 16.02 1.24 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.054 179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.01 108.99 2.73 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.045 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.4 t -87.46 103.12 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.907 0.384 . . . . 0.0 110.081 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.552 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.8 mt -93.3 122.77 45.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.931 0.396 . . . . 0.0 110.321 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -104.83 99.7 9.34 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -101.18 127.81 9.37 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.734 -0.746 . . . . 0.0 113.508 -173.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -117.49 112.35 20.5 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.501 HD13 HD23 ' A' ' 168' ' ' LEU . 30.3 tp -96.04 127.02 41.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.261 -176.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -167.01 121.53 1.05 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.863 171.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.424 ' CD2' ' HA ' ' A' ' 169' ' ' THR . 92.5 mt -104.08 136.4 43.79 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.53 -178.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.6 p -81.39 111.01 17.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.25 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.3 p -71.79 164.92 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.397 175.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.29 -27.48 67.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.876 0.369 . . . . 0.0 111.423 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -81.21 -10.43 59.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.73 26.54 71.18 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.084 -0.579 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -86.18 -16.32 38.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.559 0.219 . . . . 0.0 111.303 -177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.2 mt 66.99 111.4 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.572 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.568 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 12.4 mm100 -106.19 117.05 33.03 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.647 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 29.1 mmtt -70.62 -70.65 0.29 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.061 -176.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 120.83 95.62 1.46 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.518 -0.849 . . . . 0.0 111.554 -176.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -92.67 113.5 25.79 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -175.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 12.5 m120 54.67 67.38 1.02 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.462 0.649 . . . . 0.0 110.622 -176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.46 ' O ' ' HA ' ' A' ' 112' ' ' THR . 4.3 m -110.58 147.66 33.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.66 -177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 110' ' ' GLU . 42.3 tptt -78.13 120.25 22.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.064 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.2 t -115.53 112.32 39.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.065 177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.7 115.66 30.9 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.806 0.336 . . . . 0.0 111.073 -178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 HG12 ' A' ' 131' ' ' ILE . 8.1 tt -108.78 112.27 24.46 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.913 177.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.515 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -127.48 155.81 76.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.072 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -63.16 133.21 39.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.043 2.495 . . . . 0.0 113.271 -175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.556 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -87.11 128.43 35.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.154 177.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.1 t -148.08 157.39 43.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.696 -175.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -61.88 -26.4 68.13 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.442 0.639 . . . . 0.0 110.04 178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.449 ' HD2' ' HG3' ' A' ' 76' ' ' MET . 53.9 t80 -57.23 -32.95 67.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.774 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.449 ' HG3' ' HD2' ' A' ' 75' ' ' TYR . 83.7 mtp -107.43 15.87 24.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 112.076 -175.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -58.98 -44.51 91.6 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.97 0.414 . . . . 0.0 110.313 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.55 -35.59 81.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.685 178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -68.21 -33.14 73.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.214 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -77.35 -33.66 55.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.932 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.07 -43.81 56.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.425 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -77.98 -53.98 6.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.407 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -96.84 -85.51 0.35 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.152 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.39 -120.79 10.44 Favored Glycine 0 C--N 1.334 0.425 0 O-C-N 123.675 0.609 . . . . 0.0 112.688 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.556 HD21 ' HG2' ' A' ' 170' ' ' ARG . 32.3 t-20 -81.69 81.25 7.81 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 175.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.481 ' HG ' ' HG3' ' A' ' 90' ' ' LYS . 6.1 tt -102.28 116.95 33.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.501 -171.271 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -76.33 170.75 15.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.248 178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HA ' ' HG2' ' A' ' 91' ' ' ARG . . . -71.04 -18.8 62.55 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -39.16 91.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.175 -0.921 . . . . 0.0 111.844 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.481 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 35.2 pttt -111.17 39.41 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.124 0.488 . . . . 0.0 111.267 -178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HG2' ' HA ' ' A' ' 88' ' ' ALA . 15.4 mmt85 -72.66 113.22 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.667 174.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -99.53 113.69 65.1 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -86.32 -2.77 8.6 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.639 2.226 . . . . 0.0 112.882 -178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -102.82 -47.91 4.25 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.828 0.346 . . . . 0.0 110.23 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 45.7 t -83.2 87.02 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.322 0.582 . . . . 0.0 109.762 177.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -79.27 151.44 75.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.472 -179.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.69 120.92 8.63 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.517 2.144 . . . . 0.0 111.266 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.448 ' HG3' HD11 ' A' ' 27' ' ' LEU . 37.4 Cg_endo -65.59 166.06 21.03 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.791 2.327 . . . . 0.0 112.638 -176.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.9 t -65.78 106.48 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 98.6 mt -98.8 -172.93 2.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.237 -175.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.473 ' OD2' ' HG3' ' A' ' 104' ' ' ARG . 3.6 t70 -52.62 133.6 45.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.154 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.79 -19.33 12.71 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.974 2.449 . . . . 0.0 112.765 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 52.2 mtt85 -72.82 -15.78 61.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.162 0.506 . . . . 0.0 110.325 -177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.473 ' HG3' ' OD2' ' A' ' 101' ' ' ASP . 39.5 mtp-105 -56.47 -29.26 61.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.703 175.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.99 -8.15 21.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.855 0.359 . . . . 0.0 111.297 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 30.2 m -115.22 -37.73 4.01 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -94.65 -14.1 25.22 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.515 HG22 ' HB3' ' A' ' 70' ' ' GLU . 91.0 t -82.3 108.34 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.194 0.521 . . . . 0.0 109.766 176.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.7 mtt85 -86.2 112.32 21.23 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.331 -178.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.438 ' HB3' ' HE3' ' A' ' 66' ' ' LYS . 43.5 mt-10 -101.57 116.66 33.26 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.79 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -110.88 175.01 5.59 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.973 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 65' ' ' THR . 45.1 m -142.4 127.48 18.5 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.251 175.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.421 HG21 HD23 ' A' ' 50' ' ' LEU . 29.3 p -59.55 137.96 57.85 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.777 0.322 . . . . 0.0 111.009 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 10.7 p-10 -54.98 -61.89 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.485 -0.779 . . . . 0.0 111.6 -174.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.433 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 26.7 tt0 179.71 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.725 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -92.4 11.08 27.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.032 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.58 26.08 47.98 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.474 -0.784 . . . . 0.0 112.673 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 22.9 ttt180 -109.96 147.19 33.92 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.409 -0.465 . . . . 0.0 111.319 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -143.56 130.63 20.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.497 173.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -111.69 128.72 56.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.049 0.452 . . . . 0.0 110.62 -178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.552 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 18.7 m-85 -115.77 142.69 46.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.932 178.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -144.1 157.85 44.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.401 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 6.1 m80 66.01 34.32 7.09 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.641 0.588 . . . . 0.0 111.751 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 47.0 mt -94.95 126.77 45.56 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.307 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.11 159.53 38.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.149 2.566 . . . . 0.0 112.215 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -76.29 137.85 40.16 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.35 -144.9 11.33 Favored Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 72' ' ' ALA . 6.5 t -136.29 136.37 39.73 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.069 0.461 . . . . 0.0 110.49 -178.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -132.85 164.64 26.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.192 -177.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.478 ' CE1' HD13 ' A' ' 155' ' ' LEU . 50.0 m-85 -110.02 124.45 51.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.333 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.514 HG12 HD12 ' A' ' 69' ' ' LEU . 63.8 mt -101.08 104.66 16.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 172.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.7 t -110.25 125.14 52.79 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.7 m -137.65 132.63 33.25 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.373 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -96.65 107.15 19.54 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.561 -0.456 . . . . 0.0 110.101 177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.601 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 48.9 tp -117.61 93.22 4.08 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.455 ' HB ' ' CG2' ' A' ' 147' ' ' THR . 45.1 p -110.12 112.97 25.29 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.846 -177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.568 ' CE2' ' HG3' ' A' ' 60' ' ' GLN . 45.4 p90 -115.63 159.16 21.67 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 177.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.5 p -101.62 129.69 47.79 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 120.895 0.378 . . . . 0.0 111.093 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.85 124.68 43.19 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.891 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -81.31 118.52 22.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.392 0.615 . . . . 0.0 111.132 -176.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 7.8 t -107.02 -164.56 1.0 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -63.66 95.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.861 0.363 . . . . 0.0 111.262 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 70.56 -1.76 19.58 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 113.328 177.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -136.67 116.47 13.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.513 -0.404 . . . . 0.0 110.688 -175.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 54.7 m -88.48 114.24 24.9 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.06 0.457 . . . . 0.0 109.877 176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 35.8 pt -93.79 147.94 5.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.958 -176.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 136' ' ' THR . 40.5 m -98.11 104.27 16.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.932 176.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.557 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 39.5 mt-10 -86.7 175.64 8.16 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.602 -178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.601 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 88.65 -98.21 2.4 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.084 177.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 90.98 -157.38 25.08 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.829 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 11.8 m -96.15 102.61 14.43 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.987 0.422 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.481 HG23 HD21 ' A' ' 85' ' ' ASN . 7.3 p -95.92 125.83 48.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.206 -178.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 61.6 m -117.35 121.81 42.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.077 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 37.5 tptt -110.29 126.42 54.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.722 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.478 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.6 tp -85.43 109.26 18.32 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.044 0.45 . . . . 0.0 110.3 179.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.6 t -114.0 125.22 71.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -176.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 27.9 m -108.31 101.09 10.32 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.413 178.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 21.9 t -76.35 98.09 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.4 m -99.0 17.58 19.34 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.689 -171.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -178.93 -168.74 38.54 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.05 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 20.0 m -106.95 17.29 23.27 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.309 0.575 . . . . 0.0 110.167 179.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -79.39 153.33 76.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.491 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo -67.47 103.38 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.464 2.11 . . . . 0.0 110.852 173.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -94.98 113.72 25.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.579 -175.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -81.22 112.94 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.643 -0.503 . . . . 0.0 109.643 176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.9 t -123.92 120.17 58.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.554 -176.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 74.4 mt -85.02 122.08 28.72 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 175.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.501 HD23 HD13 ' A' ' 50' ' ' LEU . 35.5 tp -88.03 100.7 13.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.472 0.653 . . . . 0.0 109.923 -179.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.424 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -165.07 174.85 9.96 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.703 -1.135 . . . . 0.0 108.611 179.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.556 ' HG2' HD21 ' A' ' 85' ' ' ASN . 89.7 mtt180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.403 -0.808 . . . . 0.0 109.991 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.837 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -154.26 150.7 28.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.762 -0.258 . . . . 0.0 110.583 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m 68.3 -63.26 0.34 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 123.474 0.71 . . . . 0.0 111.782 -178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -85.12 130.67 34.57 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.915 0.388 . . . . 0.0 110.233 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -161.67 148.1 14.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.73 -172.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -144.05 51.13 1.31 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -72.64 74.36 1.08 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.555 -174.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -143.5 15.02 1.81 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.731 174.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -99.66 -19.66 16.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.195 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.0 m -82.97 80.1 9.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.447 -178.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m 65.0 98.83 0.04 OUTLIER 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.83 179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -82.02 -175.34 50.42 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.756 176.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.22 82.65 5.35 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.4 t 64.34 92.53 0.06 OUTLIER Pre-proline 0 C--O 1.234 0.241 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.649 -177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -59.99 132.01 42.43 Favored 'Trans proline' 0 C--O 1.236 0.404 0 C-N-CA 122.683 2.255 . . . . 0.0 111.552 178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -64.39 108.26 1.57 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.332 0.587 . . . . 0.0 110.681 -177.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 148.36 -27.27 1.38 Allowed Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -176.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.1 t -87.37 140.53 29.44 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 175.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -139.8 99.98 3.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.828 0.347 . . . . 0.0 110.359 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -90.31 151.71 21.36 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.6 111.61 0.36 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.965 0.791 . . . . 0.0 112.061 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 p -86.04 -12.11 51.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.858 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -105.53 108.49 61.6 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.307 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -77.28 128.88 9.98 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.223 1.949 . . . . 0.0 111.477 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -96.69 151.42 19.64 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.13 -178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' OD1' ' HB1' ' A' ' 78' ' ' ALA . 9.6 m-20 -125.89 -155.84 0.7 Allowed 'General case' 0 N--CA 1.437 -1.097 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.6 mt 54.28 96.34 0.04 OUTLIER Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 114.523 -1.217 . . . . 0.0 113.391 176.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 71.6 Cg_endo -85.21 120.97 2.26 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 122.781 2.321 . . . . 0.0 112.466 175.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -79.62 -41.05 27.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.462 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 95.0 m-85 -64.15 -54.07 42.52 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -172.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 97.6 Cg_endo -78.99 13.2 2.04 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 121.8 1.667 . . . . 0.0 113.699 -175.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -92.17 63.34 4.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.553 0.692 . . . . 0.0 111.227 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -96.36 1.46 51.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.561 165.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.23 -49.03 60.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.435 -166.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -61.76 -36.44 81.04 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.117 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.77 64.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.296 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.97 10.05 41.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.359 . . . . 0.0 111.248 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.4 m -93.6 116.12 28.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.967 0.413 . . . . 0.0 110.548 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.23 162.87 15.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.353 -177.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -97.35 -14.43 21.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.549 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 41.5 t -76.34 112.5 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.571 -178.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.452 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -164.12 169.43 38.98 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.388 -179.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -134.62 13.86 4.49 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.51 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -71.33 123.1 10.06 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.923 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.6 t -109.31 111.2 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.978 0.418 . . . . 0.0 110.01 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 62.9 mt -101.93 116.28 45.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 120.965 0.412 . . . . 0.0 110.714 -177.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -103.01 99.09 8.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -107.54 129.05 9.47 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.377 -0.916 . . . . 0.0 112.528 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -110.5 117.99 35.03 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.546 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.5 tp -92.14 129.23 38.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.109 -175.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 59' ' ' ILE . 38.1 p90 -170.65 114.53 0.45 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.893 172.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD12 HD23 ' A' ' 135' ' ' LEU . 65.4 mt -102.18 128.18 48.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.566 -178.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 59' ' ' ILE . 10.9 p -82.47 100.25 9.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.532 -177.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.4 t -65.05 162.89 15.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.704 171.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.13 -30.59 64.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.725 0.298 . . . . 0.0 111.593 -178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -69.59 -20.15 63.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.923 0.392 . . . . 0.0 110.921 178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.88 20.72 72.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.616 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -81.93 -22.02 36.97 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.853 -0.204 . . . . 0.0 111.113 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.479 HG12 HG22 ' A' ' 53' ' ' THR . 60.1 mt 66.82 112.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 121.483 0.658 . . . . 0.0 111.735 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 10.2 mp0 -93.68 123.16 36.82 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.433 177.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.494 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 6.1 mmtt -85.59 -18.25 33.89 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.675 -168.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 79.42 84.63 0.61 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.247 -0.978 . . . . 0.0 112.188 -179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.3 p -94.23 114.09 26.12 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.7 0.286 . . . . 0.0 110.658 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.486 ' HA ' ' O ' ' A' ' 113' ' ' THR . 26.1 t-20 58.78 75.92 0.37 Allowed 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.68 0.752 . . . . 0.0 109.855 -173.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.9 m -130.42 144.59 51.49 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.099 -177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 79.5 mttt -85.24 121.74 28.42 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 111.52 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.7 t -112.06 105.11 18.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.19 146.63 25.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.857 0.361 . . . . 0.0 110.81 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 tt -126.74 122.42 34.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.182 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 108' ' ' VAL . 8.6 pt-20 -134.97 150.95 74.57 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.098 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.79 147.15 39.16 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.218 2.612 . . . . 0.0 113.237 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.79 100.25 1.87 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.589 176.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.3 p -112.0 136.31 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.509 -176.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.2 t -62.72 -23.89 67.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.197 0.522 . . . . 0.0 110.397 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 85.2 t80 -60.47 -27.62 67.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.989 176.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 50.3 mtp -108.42 11.81 26.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.97 -175.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -65.32 -40.25 93.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.081 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' HB1' ' OD1' ' A' ' 26' ' ' ASP . . . -72.44 -25.91 61.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -77.06 -42.0 40.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.766 ' HE2' HG21 ' A' ' 153' ' ' THR . 7.1 m-85 -77.37 -10.41 59.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.205 -177.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.76 -38.76 76.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.539 0.685 . . . . 0.0 109.277 171.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -84.92 -61.7 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.267 176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -96.91 8.96 43.26 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.441 -169.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -74.63 108.95 2.65 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.876 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 57.98 79.76 0.19 Allowed 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 -175.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.847 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 8.4 tt -102.22 107.94 19.16 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.411 0.624 . . . . 0.0 110.815 -171.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.22 155.02 39.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.38 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.65 -27.1 64.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.712 0.291 . . . . 0.0 111.054 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -59.43 -30.26 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.407 178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.847 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 49.0 pttt -115.73 29.35 8.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.988 0.423 . . . . 0.0 111.084 178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HA ' HD21 ' A' ' 86' ' ' LEU . 4.0 mmm180 -71.79 105.12 3.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.858 172.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -91.46 113.92 60.11 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.044 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.24 -3.99 8.63 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.872 2.382 . . . . 0.0 112.918 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -102.65 -48.93 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.663 -177.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.2 t -70.74 114.86 9.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.857 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.409 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 11.2 mm100 -92.98 143.37 26.71 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.644 177.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 42.3 Cg_exo -57.76 134.0 59.95 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.792 2.328 . . . . 0.0 112.014 177.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 19.9 Cg_exo -66.0 161.74 38.39 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.786 2.324 . . . . 0.0 112.216 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 51.0 t -71.32 100.43 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.376 179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.1 mt -84.34 170.29 13.77 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -61.72 130.45 92.28 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.458 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.56 -19.53 52.84 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.419 2.746 . . . . 0.0 113.827 -175.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 72.2 mtt85 -59.05 -28.62 66.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.639 0.257 . . . . 0.0 111.676 -179.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -65.67 -23.66 66.84 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.023 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.17 64.56 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.948 0.404 . . . . 0.0 110.487 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 16.0 m -94.13 -27.75 16.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.726 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -93.07 -36.8 12.5 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.563 HG22 ' HB3' ' A' ' 70' ' ' GLU . 58.0 t -73.97 101.96 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.346 0.593 . . . . 0.0 110.188 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' CZ ' HG12 ' A' ' 124' ' ' ILE . 0.1 OUTLIER -90.2 124.56 34.95 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.597 -178.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.74 128.91 47.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.348 -177.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.11 137.86 48.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.2 m -102.48 111.67 24.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.717 0.294 . . . . 0.0 110.693 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.486 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 39.4 p -71.74 151.0 43.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.238 177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -122.35 -148.71 0.41 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 177.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -51.56 -35.31 40.45 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 123.385 0.428 . . . . 0.0 112.073 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 40.4 m-20 -65.54 -25.08 67.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.293 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.494 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 58.39 39.2 92.5 Favored Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -171.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -137.49 147.64 45.42 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -175.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.434 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 46.4 p90 -137.04 150.78 48.29 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.717 0.294 . . . . 0.0 110.419 -179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.92 129.51 32.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.291 0.567 . . . . 0.0 110.485 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.563 ' HB3' HD11 ' A' ' 124' ' ' ILE . 63.5 m-85 -116.5 150.0 38.63 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.149 178.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -153.41 174.47 14.32 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.452 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 71.2 m-70 59.81 42.11 17.09 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.554 0.692 . . . . 0.0 110.603 -174.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.563 HD11 ' HB3' ' A' ' 121' ' ' PHE . 57.2 mt -110.19 121.64 41.06 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.951 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.401 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 18.0 Cg_endo -61.97 146.56 96.26 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.369 2.046 . . . . 0.0 111.61 176.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -59.77 116.88 4.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.823 -179.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.73 -177.84 48.12 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.937 -179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 65.4 m -101.61 126.19 48.4 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.024 0.44 . . . . 0.0 110.654 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.401 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 81.5 m-85 -130.4 165.98 21.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.132 0.491 . . . . 0.0 110.987 -175.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -114.3 135.82 53.65 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.896 175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.566 ' O ' ' HA ' ' A' ' 153' ' ' THR . 51.9 mt -98.88 110.43 26.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 173.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -107.77 116.73 32.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.179 0.514 . . . . 0.0 110.847 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.1 t -136.96 132.65 34.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.123 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -100.83 92.69 5.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.651 0.738 . . . . 0.0 110.594 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 52' ' ' LEU . 55.8 tp -114.42 108.17 16.53 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.93 178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 12.1 t -125.95 151.27 47.22 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.434 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 37.7 p90 -146.08 152.96 40.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.863 0.363 . . . . 0.0 110.683 -177.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.406 ' HB2' HG22 ' A' ' 145' ' ' THR . 13.0 p -102.69 108.6 19.92 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.88 133.83 54.67 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.549 -176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 87.1 mt-30 -81.44 104.89 12.19 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.063 -178.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 23.2 t -95.93 113.3 24.91 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 176.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 65.04 -83.47 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 O-C-N 123.83 0.706 . . . . 0.0 110.947 -176.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.76 4.16 2.96 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.444 179.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -121.02 123.56 42.69 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.013 0.435 . . . . 0.0 110.966 -177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.519 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 24.9 m -76.9 108.42 9.93 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.131 176.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.3 pt -105.99 157.52 6.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.691 0.281 . . . . 0.0 110.567 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.5 m -105.55 113.17 26.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.756 0.313 . . . . 0.0 110.747 -178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 38.8 mt-10 -109.94 177.06 4.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.155 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 98.23 -136.94 12.99 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.175 177.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 131.95 -145.94 17.61 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.596 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.4 m -109.17 102.79 11.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.165 0.507 . . . . 0.0 109.666 178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.4 p -90.35 130.01 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-O 121.365 0.602 . . . . 0.0 110.113 -175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.766 HG21 ' HE2' ' A' ' 80' ' ' TYR . 8.1 m -120.28 120.15 35.23 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.364 -0.834 . . . . 0.0 109.69 177.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -110.39 143.15 41.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.81 0.338 . . . . 0.0 110.794 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -91.1 104.25 16.85 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.186 -178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 57.7 t -112.47 106.38 20.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.317 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 5.0 t -99.09 96.32 7.71 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.828 0.823 . . . . 0.0 110.347 179.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -82.08 86.35 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.931 -177.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.5 t -91.89 19.12 6.91 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.637 -177.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -164.56 148.24 14.04 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.045 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 29.5 m -84.82 59.37 5.52 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.852 0.834 . . . . 0.0 109.946 179.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -117.27 162.35 28.55 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.864 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.89 102.29 1.03 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 122.281 1.987 . . . . 0.0 110.469 169.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -94.97 117.43 30.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.343 -175.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -79.66 111.49 16.0 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.025 0.44 . . . . 0.0 109.946 176.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.519 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.7 t -119.31 107.59 21.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.385 -177.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.1 mt -77.32 111.03 12.55 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.546 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 32.0 tp -79.75 87.9 5.23 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.774 0.797 . . . . 0.0 109.809 -178.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.434 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 13.0 t -157.48 178.77 9.92 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.417 -1.265 . . . . 0.0 108.007 177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.508 -0.758 . . . . 0.0 110.249 -176.512 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.692 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 p -93.63 -6.39 46.57 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.679 0.276 . . . . 0.0 110.678 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 m -59.16 102.01 0.11 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.997 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -91.7 -20.95 21.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.801 -179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -78.73 60.67 2.82 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.344 0.592 . . . . 0.0 109.45 171.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -158.72 64.12 0.42 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -114.09 90.37 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.984 -174.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -99.21 135.45 40.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.878 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 32.3 m-70 -75.22 178.36 5.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.006 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.2 m -58.35 137.88 56.89 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.682 178.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.0 p -73.67 91.09 1.85 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.244 0.545 . . . . 0.0 110.397 178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -115.0 -151.32 10.04 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.097 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.5 mt -106.31 111.75 24.48 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.784 0.326 . . . . 0.0 110.249 -179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.8 m -116.84 98.49 51.97 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.178 0.513 . . . . 0.0 111.285 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.443 ' HB2' ' O ' ' A' ' 18' ' ' SER . 22.5 Cg_exo -65.58 130.96 26.33 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.507 2.138 . . . . 0.0 110.999 175.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' N ' ' HD2' ' A' ' 16' ' ' ARG . 7.5 mpt_? -73.33 132.58 43.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.322 -174.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 92.38 -70.11 1.72 Allowed Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -175.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 15' ' ' PRO . 17.2 t -166.51 -174.04 2.69 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 177.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -84.84 -161.81 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.212 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.8 mtt -58.2 -34.89 70.86 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.278 0.561 . . . . 0.0 110.043 176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.63 -63.42 0.33 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.317 -0.856 . . . . 0.0 108.892 174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.3 t -165.16 -83.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.1 173.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.455 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 7.2 p30 -147.83 123.53 5.29 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 175.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.492 ' HB2' ' HB3' ' A' ' 28' ' ' PRO . 3.0 Cg_exo -75.99 86.59 1.5 Allowed 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 122.849 2.366 . . . . 0.0 112.455 -178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.437 ' O ' ' HB2' ' A' ' 78' ' ' ALA . 8.9 t30 -89.24 -25.32 21.79 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.77 175.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -76.94 68.26 3.08 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.705 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt 56.55 81.24 0.26 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.473 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.492 ' HB3' ' HB2' ' A' ' 24' ' ' PRO . 90.0 Cg_endo -85.05 177.08 5.53 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 122.608 2.205 . . . . 0.0 111.534 174.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 36.4 t70 -96.11 143.19 27.46 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 177.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.592 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 36.7 m-85 109.17 -30.72 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.171 0 C-N-CA 125.251 1.42 . . . . 0.0 114.795 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.58 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 20.0 Cg_exo -67.73 9.22 0.36 Allowed 'Trans proline' 0 C--N 1.362 1.256 0 CA-C-N 121.843 1.694 . . . . 0.0 113.435 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.0 mp0 -82.29 3.66 26.77 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 177.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -53.22 -37.13 61.75 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.255 -179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.56 -29.17 63.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.194 -177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -66.01 -26.8 67.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.131 0.491 . . . . 0.0 110.289 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.44 5.07 51.64 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.791 177.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -122.2 18.98 10.73 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.025 0.44 . . . . 0.0 111.199 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.8 m -96.58 91.28 5.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.026 0.441 . . . . 0.0 110.866 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.533 ' O ' ' HB2' ' A' ' 40' ' ' GLN . 0.4 OUTLIER -121.7 -167.14 1.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.992 176.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.559 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 44.6 mt-30 82.06 113.9 0.06 Allowed 'General case' 0 CA--C 1.515 -0.396 0 C-N-CA 123.861 0.864 . . . . 0.0 111.918 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.5 t -87.36 103.29 13.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.35 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.529 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -91.27 170.66 34.45 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.406 -178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 24.33 13.08 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.865 -0.683 . . . . 0.0 111.545 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.819 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -64.93 113.31 5.75 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 121.343 -0.456 . . . . 0.0 112.742 -177.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.0 t -89.81 98.77 8.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.23 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.515 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 49.4 mt -99.52 93.92 3.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.012 -179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.581 ' H ' HD22 ' A' ' 47' ' ' ASN . 0.1 OUTLIER -102.79 140.96 36.38 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.23 157.04 27.03 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 119.77 -1.205 . . . . 0.0 113.503 -174.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -116.04 119.14 34.92 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 27.2 tp -94.59 129.01 41.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.592 -178.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.556 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 34.1 p90 -169.84 130.6 1.02 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.235 0.541 . . . . 0.0 110.583 172.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.43 HD12 HD23 ' A' ' 135' ' ' LEU . 96.4 mt -118.47 141.23 48.77 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.007 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 p -89.8 134.47 34.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.789 0.328 . . . . 0.0 110.528 176.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.486 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 91.1 p -88.22 -179.19 6.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.751 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.87 -28.48 64.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.031 0.443 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.3 t -77.69 -30.21 51.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.942 176.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.56 30.96 3.87 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.601 -0.809 . . . . 0.0 111.853 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.23 140.18 32.1 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 176.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 71.3 mt -95.17 108.91 21.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.176 0.512 . . . . 0.0 110.594 -179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 14.3 mm100 -89.47 106.36 18.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.779 178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.638 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 14.8 mmtt -76.98 -12.05 59.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.094 -175.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.93 83.9 0.37 Allowed Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.277 -0.963 . . . . 0.0 111.515 -177.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 m -83.56 105.16 14.26 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 -175.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.543 ' HA ' ' O ' ' A' ' 113' ' ' THR . 15.0 t-20 59.11 72.7 0.52 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.524 0.678 . . . . 0.0 109.823 -178.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.6 m -128.61 138.52 52.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.533 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -74.97 111.89 10.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.015 0.436 . . . . 0.0 111.86 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.4 t -97.72 116.15 39.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.484 171.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.38 134.23 47.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.733 0.301 . . . . 0.0 111.157 -176.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.7 tp -115.68 118.75 33.94 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.16 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.536 ' HB3' HG22 ' A' ' 108' ' ' VAL . 12.9 pt-20 -126.41 151.5 72.69 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 120.782 0.325 . . . . 0.0 111.158 -177.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 8.3 Cg_exo -72.61 146.96 44.72 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.373 2.715 . . . . 0.0 113.112 -177.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.78 109.33 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.985 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 64.5 p -123.19 155.61 36.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.523 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.489 ' O ' ' HG3' ' A' ' 77' ' ' LYS . 57.3 p -77.69 -9.54 59.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.289 0.566 . . . . 0.0 110.354 178.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.58 ' HB2' ' HB2' ' A' ' 31' ' ' PRO . 61.5 t80 -67.92 -35.81 79.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 175.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 78.7 mtp -91.61 17.35 8.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 112.343 -173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 74' ' ' SER . 49.8 mtmt -58.2 -43.47 87.64 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 110.464 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -69.6 -44.22 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.95 178.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -59.8 -39.09 83.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.952 0.406 . . . . 0.0 110.708 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.712 ' HE1' HG21 ' A' ' 153' ' ' THR . 52.2 t80 -74.89 -23.72 58.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.51 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.29 -29.53 31.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 -179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.645 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 73.8 mmtt -68.84 -56.32 8.33 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -122.05 -84.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.316 -175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 62.22 -128.62 42.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.188 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.545 ' HA ' ' O ' ' A' ' 151' ' ' THR . 41.0 t-20 -82.46 103.21 11.84 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.499 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.5 tt -138.38 127.15 23.68 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.628 -170.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.463 ' CB ' ' HE2' ' A' ' 90' ' ' LYS . 9.6 t70 -57.7 146.7 30.07 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.272 -0.876 . . . . 0.0 110.824 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.53 ' O ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.15 -24.21 67.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.67 0.271 . . . . 0.0 111.445 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.05 -22.64 60.58 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.306 0.575 . . . . 0.0 110.506 177.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE2' ' CB ' ' A' ' 87' ' ' ASP . 41.0 mtmt -100.37 7.81 44.05 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.699 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.53 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 0.2 OUTLIER -73.69 107.41 5.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.207 -178.444 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -98.73 110.08 55.84 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.477 174.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -88.39 8.38 4.07 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.718 2.279 . . . . 0.0 112.9 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -91.71 -43.88 9.33 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.8 t -71.0 118.22 15.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.815 174.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -89.78 126.76 56.64 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.345 -177.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 31.8 Cg_exo -58.56 128.37 28.06 Favored 'Trans proline' 0 N--CA 1.462 -0.329 0 C-N-CA 122.563 2.175 . . . . 0.0 111.477 176.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 40.8 Cg_exo -56.55 138.96 86.57 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.692 2.261 . . . . 0.0 112.149 -178.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 57.7 t -76.33 112.06 13.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.328 -177.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.424 HD22 ' CE2' ' A' ' 75' ' ' TYR . 56.7 mt -85.25 176.56 8.26 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.04 179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.544 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 15.9 t70 -57.17 124.37 65.66 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.17 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 39.7 Cg_exo -58.07 -16.94 29.21 Favored 'Trans proline' 0 N--CA 1.476 0.444 0 C-N-CA 123.524 2.816 . . . . 0.0 114.314 -171.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -65.0 -20.07 66.32 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.0 ptm85 -63.54 -26.01 68.51 Favored 'General case' 0 C--O 1.223 -0.306 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.599 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.58 -16.32 64.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.965 0.412 . . . . 0.0 110.983 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.1 m -97.11 -34.79 11.02 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 176.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -77.77 -35.53 51.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.715 -178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.536 HG22 ' HB3' ' A' ' 70' ' ' GLU . 86.0 t -71.17 118.04 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 109' ' ' ARG . 22.9 mtp180 -99.99 141.48 32.76 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.499 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -101.92 147.7 26.22 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.046 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.43 102.59 4.66 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.293 170.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.8 m -82.29 109.76 16.85 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.743 -0.466 . . . . 0.0 109.743 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.543 ' O ' ' HA ' ' A' ' 64' ' ' ASN . 26.7 p -55.16 140.52 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.53 -176.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -76.63 -171.55 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.022 177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -74.32 -3.37 29.82 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.271 -174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -102.99 7.31 39.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.756 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.523 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 61.36 48.06 87.33 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.08 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.472 ' HD3' ' N ' ' A' ' 119' ' ' PHE . 3.6 tmt_? -136.96 144.12 43.21 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 -176.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.472 ' N ' ' HD3' ' A' ' 118' ' ' ARG . 49.2 p90 -142.87 156.63 44.96 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.497 ' HA ' ' HA ' ' A' ' 47' ' ' ASN . 4.9 p-10 -145.85 140.92 27.39 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.278 0.561 . . . . 0.0 110.753 178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.515 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 95.7 m-85 -113.26 158.28 20.71 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.299 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -156.72 171.46 20.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 173.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.529 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.5 m170 62.5 45.51 6.28 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.528 . . . . 0.0 110.758 -175.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.462 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 69.4 mt -129.13 138.25 32.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.229 -176.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.559 ' HG3' ' O ' ' A' ' 40' ' ' GLN . 7.0 Cg_exo -72.57 -176.75 2.41 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.779 2.319 . . . . 0.0 112.441 177.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.78 155.83 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.01 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 140.75 -158.61 26.23 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.583 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 m -104.65 124.62 49.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.745 0.307 . . . . 0.0 110.754 -177.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -133.2 161.74 33.64 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 110.754 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -116.74 134.04 55.28 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.473 177.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 153' ' ' THR . 38.2 mt -100.39 113.69 36.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 172.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 35.9 m -111.2 114.43 27.65 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.693 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.3 m -131.41 129.24 41.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.862 0.363 . . . . 0.0 110.962 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -93.62 100.33 12.6 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.277 176.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.43 HD23 HD12 ' A' ' 52' ' ' LEU . 46.9 tp -116.53 90.63 3.38 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.476 178.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 88' ' ' ALA . 45.2 p -115.47 138.8 50.64 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.024 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.507 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 46.4 p90 -141.53 150.48 42.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.986 0.422 . . . . 0.0 110.208 178.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.3 m -107.7 120.09 41.26 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.95 123.11 49.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.98 0.419 . . . . 0.0 110.938 -175.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 51.1 mt-30 -81.73 99.75 9.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.162 177.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 16.7 t -91.1 103.58 16.26 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 65.49 -77.68 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.938 0.774 . . . . 0.0 111.419 -177.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -140.68 5.37 2.56 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.415 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -123.95 120.35 32.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.876 0.37 . . . . 0.0 110.761 -178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 15.5 m -79.24 128.48 33.36 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.492 177.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 26.6 pt -119.39 141.58 38.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.177 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.2 m -94.38 104.23 16.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.522 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.507 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 40.4 mt-10 -101.38 165.47 11.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.043 0.449 . . . . 0.0 110.547 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 91.31 -152.38 21.56 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.258 177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 151.93 -155.35 26.09 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.199 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.545 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 10.7 m -96.94 105.31 17.43 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -95.07 121.1 45.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.768 -177.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.712 HG21 ' HE1' ' A' ' 80' ' ' TYR . 13.9 m -109.74 119.79 40.48 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.81 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.3 tptt -110.67 130.03 55.67 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.99 -178.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 58.7 tp -80.36 116.47 20.44 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 94.2 t -116.89 124.57 73.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.282 0.563 . . . . 0.0 111.2 -176.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 5.3 t -105.59 121.83 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.954 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.28 104.89 16.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 43.8 t -70.21 -27.84 64.8 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.1 -178.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.84 -158.35 31.13 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.338 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.819 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.5 p -73.88 -24.0 59.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.797 0.332 . . . . 0.0 111.531 -178.109 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -60.99 146.14 88.11 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.766 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.36 117.24 3.27 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.541 2.827 . . . . 0.0 113.639 -173.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -103.67 110.71 22.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.6 176.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 63.1 tttp -96.06 116.86 29.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.038 0.447 . . . . 0.0 110.061 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 59.4 t -121.97 116.04 48.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.654 -176.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 5.6 mp -79.32 112.84 16.95 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.496 HD23 HD13 ' A' ' 50' ' ' LEU . 28.3 tp -81.39 93.49 6.61 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-O 121.622 0.725 . . . . 0.0 109.991 -177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 12.1 t -159.19 179.0 9.4 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.545 -1.207 . . . . 0.0 107.859 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 14.5 tpt180 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.655 -0.688 . . . . 0.0 110.139 -177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.4 m -60.04 103.62 0.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.588 0.232 . . . . 0.0 111.323 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.0 p 61.02 159.33 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.781 1.232 . . . . 0.0 112.595 178.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -97.82 95.52 7.58 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 174.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.7 p-80 -110.28 115.17 29.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.527 0.679 . . . . 0.0 112.108 -170.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -129.07 114.91 16.96 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -68.6 -30.26 68.96 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.145 -171.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -139.74 172.67 12.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.794 176.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -73.79 92.0 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 173.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.879 ' HA ' HD11 ' A' ' 13' ' ' LEU . 50.2 m -149.57 174.38 12.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.716 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.2 p 53.14 28.29 6.81 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.409 0.684 . . . . 0.0 111.93 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.16 39.69 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.374 179.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.879 HD11 ' HA ' ' A' ' 10' ' ' SER . 3.6 mp -89.63 66.9 7.35 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.6 t 65.43 97.03 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.725 -173.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.62 -20.55 46.87 Favored 'Trans proline' 0 C--N 1.343 0.247 0 C-N-CA 122.791 2.327 . . . . 0.0 113.043 -174.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -136.09 117.53 14.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.786 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.1 -68.09 0.22 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.873 -0.68 . . . . 0.0 111.418 176.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.0 m -66.1 134.51 52.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.877 0.37 . . . . 0.0 110.66 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 44.9 m80 -81.06 57.89 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.949 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.3 ptp -79.55 -21.08 45.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.029 0.442 . . . . 0.0 110.436 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 26.52 9.64 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.603 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.4 m -133.32 95.49 3.53 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.164 0.506 . . . . 0.0 110.438 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' HB2' ' HD2' ' A' ' 24' ' ' PRO . 3.9 p-10 -166.56 166.12 9.31 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.281 -0.872 . . . . 0.0 108.795 -177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' ' 23' ' ' ASN . 19.5 Cg_endo -60.52 99.12 0.14 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 121.969 1.779 . . . . 0.0 110.662 172.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -104.42 80.24 1.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.748 -171.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 77.1 m-20 67.07 -58.17 0.41 Allowed 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.119 1.526 . . . . 0.0 115.119 168.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 26' ' ' ASP . 6.3 mp 76.57 144.21 0.1 Allowed Pre-proline 0 C--N 1.325 -0.483 0 C-N-CA 124.177 0.991 . . . . 0.0 108.439 -160.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 30' ' ' PHE . 9.8 Cg_endo -51.5 144.07 33.57 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 123.148 2.566 . . . . 0.0 112.356 -176.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -71.6 84.9 0.87 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.389 0.614 . . . . 0.0 111.206 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.437 ' CD2' ' HB2' ' A' ' 28' ' ' PRO . 85.2 m-85 -133.06 91.96 26.88 Favored Pre-proline 0 C--N 1.321 -0.665 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.434 173.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.44 ' HG2' ' CD2' ' A' ' 33' ' ' HIS . 29.5 Cg_endo -65.27 166.28 19.62 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.383 2.056 . . . . 0.0 110.805 176.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.7 66.2 1.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.568 0.699 . . . . 0.0 111.108 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.44 ' CD2' ' HG2' ' A' ' 31' ' ' PRO . 37.2 m-70 -95.78 -10.37 29.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.818 167.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -96.16 -30.11 13.69 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 115.225 -0.898 . . . . 0.0 112.551 -163.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.598 ' OH ' ' HG2' ' A' ' 76' ' ' MET . 54.7 m-85 -91.27 -48.58 6.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.157 -0.34 . . . . 0.0 110.974 -174.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -72.78 -8.88 57.6 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.54 10.42 38.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.772 0.32 . . . . 0.0 111.291 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.7 p -75.56 158.87 31.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.953 0.406 . . . . 0.0 110.904 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.933 HE21 ' HA ' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -100.45 154.43 18.54 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 178.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -97.62 16.83 19.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.115 0.484 . . . . 0.0 110.679 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -91.1 107.39 18.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.85 178.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -161.41 128.16 1.87 Allowed Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.966 -0.635 . . . . 0.0 111.971 -177.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -138.31 16.89 3.37 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.143 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.516 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -74.57 143.52 31.58 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.818 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.0 t -113.73 115.74 50.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.869 0.366 . . . . 0.0 110.255 179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 70.5 mt -106.46 119.57 56.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 177.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.525 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 11.7 t-20 -121.59 118.96 30.53 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.513 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -132.5 149.57 19.51 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 119.009 -1.567 . . . . 0.0 114.983 -171.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.36 120.94 41.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 114.807 -0.697 . . . . 0.0 109.163 172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 26.0 tp -94.85 125.65 39.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.529 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 26.2 p90 -164.51 125.2 2.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.285 0.564 . . . . 0.0 110.38 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.2 mt -108.46 135.66 49.37 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.303 177.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.27 114.99 20.44 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.854 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.411 ' HB3' ' OE2' ' A' ' 148' ' ' GLU . 1.2 m -65.0 155.8 33.41 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.93 177.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.34 68.34 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 175.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.0 m -84.25 -1.75 55.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.964 176.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.9 35.72 85.21 Favored Glycine 0 C--N 1.336 0.563 0 C-N-CA 121.367 -0.444 . . . . 0.0 113.482 178.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.49 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -87.27 -38.99 15.8 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.689 -0.301 . . . . 0.0 111.146 178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.49 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 85.0 mt 69.8 123.49 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.184 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.749 -175.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -131.26 133.58 45.58 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 174.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.732 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 32.7 mmtp -66.05 -70.78 0.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 -179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 122.75 102.71 1.66 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 120.497 -0.858 . . . . 0.0 111.399 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.6 p -115.61 142.44 46.73 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t30 64.53 21.86 12.54 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 122.093 0.949 . . . . 0.0 109.407 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 16.3 m -92.84 132.88 36.61 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.311 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -83.8 114.87 21.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.172 0.511 . . . . 0.0 111.183 -178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.517 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 87.0 t -100.95 118.53 47.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.781 174.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -104.16 128.37 51.83 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.978 0.418 . . . . 0.0 110.633 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.1 tp -107.48 97.37 7.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.932 177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.426 ' HA ' HG22 ' A' ' 108' ' ' VAL . 12.8 pt-20 -102.82 136.58 19.25 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-O 120.823 0.344 . . . . 0.0 110.569 -178.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -68.65 142.35 52.87 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.269 1.979 . . . . 0.0 111.697 177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.82 101.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.204 0.526 . . . . 0.0 110.089 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 p -122.86 152.69 40.5 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.201 -174.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.6 m -72.09 -27.95 62.99 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -70.98 -34.92 71.87 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.984 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.598 ' HG2' ' OH ' ' A' ' 35' ' ' TYR . 91.3 mmm -84.53 -11.15 56.63 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.718 0.294 . . . . 0.0 111.514 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -59.03 -36.46 75.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.115 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.87 -31.26 61.57 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.021 0.438 . . . . 0.0 111.419 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -74.8 -27.27 60.24 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.057 0.456 . . . . 0.0 110.01 -177.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -65.41 -30.19 70.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.43 176.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.75 -27.65 58.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.706 ' HE2' ' HA ' ' A' ' 97' ' ' PRO . 16.2 mtpp -75.32 -38.55 60.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.237 178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -131.67 -79.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.858 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 60.94 -121.64 27.19 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.403 -176.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.674 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.4 p30 -92.99 92.92 8.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.781 0.8 . . . . 0.0 109.645 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.633 HD23 ' O ' ' A' ' 87' ' ' ASP . 8.3 tt -123.22 121.18 35.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.528 -174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.633 ' O ' HD23 ' A' ' 86' ' ' LEU . 8.1 m-20 -58.96 141.58 53.36 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.897 179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.41 -27.59 37.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.24 -9.32 59.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.853 -178.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 58.1 mttp -100.02 -4.95 28.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.67 0.271 . . . . 0.0 110.526 -178.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 91' ' ' ARG . 13.6 ttp180 -69.13 114.5 7.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.488 -175.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.515 ' OD2' ' HB3' ' A' ' 94' ' ' ASP . 27.7 t70 -112.79 124.43 31.77 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.163 -174.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.7 Cg_exo -76.83 -5.46 15.97 Favored 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 122.97 2.447 . . . . 0.0 113.446 -179.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.515 ' HB3' ' OD2' ' A' ' 92' ' ' ASP . 26.8 t70 -88.26 -31.13 19.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.843 0.354 . . . . 0.0 110.438 179.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.478 HG12 ' NZ ' ' A' ' 82' ' ' LYS . 16.9 t -77.2 75.9 0.59 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.273 0.559 . . . . 0.0 109.644 175.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 47.8 mt-30 -55.41 135.8 69.84 Favored Pre-proline 0 C--O 1.236 0.361 0 CA-C-N 115.311 -0.858 . . . . 0.0 112.798 -173.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.706 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 55.6 Cg_endo -94.95 126.66 0.41 Allowed 'Trans proline' 0 N--CA 1.449 -1.132 0 C-N-CA 123.7 2.933 . . . . 0.0 111.968 171.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 7.1 Cg_exo -73.79 151.11 45.55 Favored 'Trans proline' 0 C--O 1.234 0.296 0 C-N-CA 122.582 2.188 . . . . 0.0 111.792 178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.63 126.73 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.056 0.455 . . . . 0.0 109.877 178.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 69.9 mt -104.48 179.47 4.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.017 -175.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' O ' ' HD3' ' A' ' 104' ' ' ARG . 7.7 t70 -52.0 136.75 37.41 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.243 179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.57 -25.34 6.73 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.041 2.494 . . . . 0.0 113.72 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -70.22 -21.82 62.97 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.992 0.425 . . . . 0.0 110.803 -177.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 101' ' ' ASP . 23.0 mtp-105 -47.93 -46.25 31.89 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.142 169.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.16 -5.58 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.754 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.0 m -92.61 -35.56 13.47 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 0.0 110.069 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -88.7 -33.57 17.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.007 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 104' ' ' ARG . 58.3 t -76.92 107.85 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.726 177.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -73.82 130.6 40.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.166 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -102.13 113.17 26.2 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 173.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -115.19 127.44 55.53 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.708 0.29 . . . . 0.0 110.878 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.5 m -86.87 121.3 29.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.195 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.8 p -68.25 141.24 55.96 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.854 0.359 . . . . 0.0 111.449 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -76.53 -167.28 0.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.77 0.795 . . . . 0.0 111.106 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -71.37 -27.75 63.57 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.469 -1.242 . . . . 0.0 111.948 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -89.77 3.87 51.5 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.964 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.732 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.01 52.01 9.57 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.685 -177.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.544 HH11 ' HB2' ' A' ' 118' ' ' ARG . 0.5 OUTLIER -130.53 147.84 52.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.714 0.292 . . . . 0.0 110.741 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.513 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 38.6 p90 -129.08 139.19 52.1 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.082 174.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -111.48 126.2 54.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.495 -177.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 17.8 m-85 -125.96 138.59 53.77 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.054 0.454 . . . . 0.0 111.406 177.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -139.08 165.92 25.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.413 -0.812 . . . . 0.0 109.686 -178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.5 m80 59.26 37.26 23.73 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 123.419 0.45 . . . . 0.0 111.722 177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.521 HG21 HG21 ' A' ' 158' ' ' VAL . 45.9 mm -84.98 121.84 74.22 Favored Pre-proline 0 C--N 1.32 -0.674 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.164 -178.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 124' ' ' ILE . 13.9 Cg_exo -70.08 168.97 20.45 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.881 2.387 . . . . 0.0 112.112 177.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -79.2 116.97 19.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.65 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.57 -170.98 39.92 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.365 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 11.9 t -113.84 138.71 49.91 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.049 0.452 . . . . 0.0 110.299 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -132.87 164.06 27.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.789 -173.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -113.17 126.2 55.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.852 174.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 153' ' ' THR . 57.2 mt -94.14 104.98 16.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 174.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 7.1 p -108.2 130.09 55.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.117 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.517 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 4.7 p -151.59 146.49 25.88 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.659 0.266 . . . . 0.0 111.368 -178.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.562 ' HG2' HG22 ' A' ' 151' ' ' THR . 46.5 mt-10 -102.02 103.85 14.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.557 177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.512 ' HG ' ' HZ3' ' A' ' 137' ' ' TRP . 37.8 tp -120.13 111.03 17.34 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.9 p -141.04 130.68 24.06 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.913 -174.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.512 ' HZ3' ' HG ' ' A' ' 135' ' ' LEU . 44.5 p90 -139.99 151.56 45.6 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 2.3 p -94.54 128.66 41.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.025 0.44 . . . . 0.0 111.143 -178.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.92 159.56 33.63 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.16 179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -107.93 113.74 27.16 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.672 0.272 . . . . 0.0 110.427 -178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 21.1 t -87.62 -76.05 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.281 0.562 . . . . 0.0 110.443 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -128.17 63.84 1.41 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.088 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 76.48 -8.37 27.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.787 -0.72 . . . . 0.0 111.595 -174.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -105.87 130.13 53.9 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 19.9 m -84.09 111.44 19.32 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.014 0.435 . . . . 0.0 110.018 177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 32.0 pt -98.97 153.51 4.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.281 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 13.6 m -99.32 99.9 10.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.06 0.457 . . . . 0.0 110.281 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.411 ' OE2' ' HB3' ' A' ' 54' ' ' SER . 6.5 mm-40 -81.45 108.52 15.11 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.043 -178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 133.15 -164.35 24.21 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.326 -0.94 . . . . 0.0 113.35 176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 159.66 -157.98 29.18 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 -178.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.674 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.7 p -91.0 112.45 24.36 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 175.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -103.15 132.91 48.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 6.8 p -120.44 116.4 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.741 177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -109.67 121.36 45.03 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.342 -0.39 . . . . 0.0 109.964 177.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 66.3 tp -80.27 112.92 18.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.026 178.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 88.6 t -121.11 123.98 71.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.503 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.509 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 25.0 m -107.59 119.54 39.72 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.214 177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.521 HG21 HG21 ' A' ' 124' ' ' ILE . 42.7 t -97.25 123.12 49.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.7 t -97.5 4.07 50.52 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.519 -170.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 159.92 -149.83 19.67 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.016 -1.087 . . . . 0.0 113.012 178.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.516 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.2 m -91.64 9.68 31.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.081 0.467 . . . . 0.0 110.999 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.48 ' HA ' ' HD3' ' A' ' 163' ' ' PRO . 2.3 mp0 -78.82 138.01 57.86 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.278 179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 162' ' ' GLN . 21.0 Cg_exo -64.93 124.23 12.79 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.705 2.27 . . . . 0.0 112.039 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -116.6 120.18 37.87 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.106 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 82.4 tttt -92.46 120.44 32.95 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 177.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 48.5 t -117.95 130.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.825 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.3 111.9 20.9 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 173.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.542 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 22.2 tp -82.14 90.08 6.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.99 0.9 . . . . 0.0 110.051 -177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 8.8 t -146.75 -178.09 5.99 Favored 'General case' 0 C--N 1.312 -1.022 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.437 ' HD2' ' OXT' ' A' ' 170' ' ' ARG . 6.0 ppt_? . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.014 -0.993 . . . . 0.0 109.91 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.736 0 N-CA-C 111.971 -0.452 . . . . 0.0 111.971 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -168.62 104.56 0.43 Allowed 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 -179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.5 t -96.0 -71.22 0.68 Allowed 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.784 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 38.1 m80 53.56 41.74 32.04 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -49.71 -37.93 31.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.865 -176.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -106.62 95.01 5.44 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -65.44 130.91 45.0 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.031 -172.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -103.43 0.44 31.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.292 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -80.54 94.89 6.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.801 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.8 m -92.02 -12.67 32.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.619 176.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.9 t -150.96 162.68 40.36 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.333 -0.849 . . . . 0.0 109.28 178.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -103.32 23.79 32.12 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.927 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.3 mt 71.22 -66.53 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.633 0.773 . . . . 0.0 111.361 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.5 t 62.78 92.59 0.06 OUTLIER Pre-proline 0 CA--C 1.531 0.242 0 CA-C-O 121.251 0.548 . . . . 0.0 110.829 -177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.56 -7.6 21.13 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.264 2.643 . . . . 0.0 112.943 -177.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -136.5 108.46 7.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 0.0 110.586 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.31 136.78 16.67 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.129 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.5 t -89.33 141.63 28.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -77.02 104.31 7.44 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.077 0.465 . . . . 0.0 110.345 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 26.2 mmt -90.1 151.97 21.36 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.067 -177.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.37 32.28 2.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.512 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.3 m 71.29 149.14 0.09 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.501 -178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -133.19 115.21 13.92 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.073 176.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.08 118.94 5.86 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.578 2.185 . . . . 0.0 112.264 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -90.65 165.51 13.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.124 0.488 . . . . 0.0 110.528 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -129.79 -43.96 1.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.3 0.571 . . . . 0.0 109.979 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 94.7 mt -97.59 125.4 45.03 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.719 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -78.03 144.15 21.04 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.541 2.16 . . . . 0.0 112.288 179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -82.39 93.53 7.21 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 178.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HB3' ' HD1' ' A' ' 75' ' ' TYR . 64.4 t80 -118.14 134.34 23.36 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.211 -176.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 30' ' ' PHE . 7.7 Cg_endo -50.69 135.67 41.86 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 123.581 2.854 . . . . 0.0 113.042 178.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 0.9 OUTLIER -77.47 32.59 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.653 -174.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -63.22 -32.86 74.37 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 111.67 0.248 . . . . 0.0 111.67 -176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.31 -26.24 66.42 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.332 0.494 . . . . 0.0 112.332 -173.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -71.95 -16.31 62.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.637 0.256 . . . . 0.0 111.55 -176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.15 20.22 18.07 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.881 0.372 . . . . 0.0 111.086 -177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -134.35 28.9 3.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.397 -176.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.8 p -105.69 23.35 14.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.813 -178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.436 ' HB2' ' HB3' ' A' ' 125' ' ' PRO . 45.5 mt-30 61.34 -163.79 0.25 Allowed 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.86 -178.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.19 -63.42 0.11 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.3 t -74.45 99.7 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.13 -0.941 . . . . 0.0 110.218 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.418 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -101.78 174.94 24.97 Favored Glycine 0 N--CA 1.443 -0.88 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.254 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -149.65 8.97 0.88 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.684 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.22 150.38 23.69 Favored Glycine 0 N--CA 1.443 -0.868 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.477 179.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -118.58 118.08 56.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.7 mt -96.87 112.25 28.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.683 -177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -102.36 99.01 9.05 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.563 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -110.03 121.59 6.05 Favored Glycine 0 N--CA 1.441 -0.978 0 C-N-CA 120.382 -0.913 . . . . 0.0 113.161 -173.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 118' ' ' ARG . 17.2 m-20 -104.07 120.97 42.23 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 176.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 40.4 tp -102.01 130.61 48.6 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.894 -174.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.452 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 30.7 p90 -166.45 125.03 1.47 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.121 172.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.407 HD12 HD23 ' A' ' 135' ' ' LEU . 91.4 mt -112.27 136.2 52.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.363 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -84.31 118.34 24.14 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.685 175.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.0 m -65.01 155.96 32.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.147 177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.5 -27.37 68.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.187 0.518 . . . . 0.0 110.277 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.7 p -77.24 -10.87 59.69 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.479 -0.782 . . . . 0.0 111.263 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.09 64.6 1.13 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.999 -0.62 . . . . 0.0 112.746 179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -141.47 147.43 37.86 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 177.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 99.1 mt -104.89 101.89 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.184 0.516 . . . . 0.0 110.424 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.461 ' HG3' ' CE2' ' A' ' 137' ' ' TRP . 15.1 mm100 -103.67 123.27 46.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.452 179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 27.8 mmtp -66.49 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 O-C-N 123.455 0.472 . . . . 0.0 111.63 -176.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.5 ' HA3' HD23 ' A' ' 50' ' ' LEU . . . 169.31 79.32 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -177.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -95.37 113.25 24.9 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 -175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 60.92 52.76 4.03 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.725 0.774 . . . . 0.0 109.308 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 20.7 m -110.97 131.02 55.4 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.077 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 27.4 ttpt -81.12 116.58 21.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.055 0.455 . . . . 0.0 111.063 -177.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 98.2 t -100.66 114.85 40.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.28 113.06 25.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.385 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.8 tp -98.99 101.94 13.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.158 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 8.2 pt-20 -116.83 148.6 42.41 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.256 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 7.6 Cg_exo -72.99 136.79 25.51 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.005 2.47 . . . . 0.0 112.951 -177.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.26 117.84 23.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.5 p -135.52 173.38 11.78 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.569 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.6 m -69.39 -45.4 69.36 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.929 0.395 . . . . 0.0 110.354 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.53 ' HD1' ' HB3' ' A' ' 30' ' ' PHE . 92.0 t80 -60.54 -37.21 80.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.346 177.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.472 ' HE2' ' HA ' ' A' ' 76' ' ' MET . 1.5 tpt -76.37 -24.0 54.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.786 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -59.69 -41.24 90.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.765 0.317 . . . . 0.0 111.027 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.99 -38.91 90.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -75.76 -37.66 59.08 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.424 178.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -61.36 -36.45 80.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.103 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.42 -20.24 65.39 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.503 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -84.36 -47.8 10.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.819 0.342 . . . . 0.0 111.741 -177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -113.78 13.16 18.44 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.79 108.83 2.5 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.166 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.9 p30 43.27 72.16 0.2 Allowed 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.804 0.811 . . . . 0.0 111.914 -177.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.436 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.8 tt -106.01 128.07 53.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.604 -178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.437 ' HB3' ' HG3' ' A' ' 90' ' ' LYS . 13.9 t70 -62.69 144.03 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.407 178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.524 ' HB2' ' HA2' ' A' ' 150' ' ' GLY . . . -65.23 -27.09 68.42 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.636 0.255 . . . . 0.0 111.648 -176.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -84.18 -6.5 59.41 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.756 0.313 . . . . 0.0 110.791 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.437 ' HG3' ' HB3' ' A' ' 87' ' ' ASP . 9.4 mtmm -106.21 12.95 29.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.402 0.62 . . . . 0.0 109.656 176.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.436 ' HA ' HD21 ' A' ' 86' ' ' LEU . 29.0 tpt85 -73.26 102.12 3.58 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.774 -179.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.406 ' OD1' HG23 ' A' ' 95' ' ' VAL . 12.2 t70 -68.78 118.2 58.5 Favored Pre-proline 0 C--N 1.33 -0.245 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 173.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -73.94 -7.56 20.12 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.779 2.319 . . . . 0.0 113.735 -171.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -107.35 3.36 25.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 120.911 -0.316 . . . . 0.0 111.639 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.406 HG23 ' OD1' ' A' ' 92' ' ' ASP . 48.6 t -104.06 90.61 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 16.2 pm0 -91.84 149.4 38.95 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.957 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 22.4 Cg_exo -65.24 115.17 3.17 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.54 2.16 . . . . 0.0 111.311 176.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.7 Cg_exo -62.64 163.78 20.37 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.161 2.574 . . . . 0.0 112.677 -177.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.2 t -74.44 94.83 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.138 178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 80.1 mt -83.66 177.28 8.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.16 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.501 ' OD1' ' HD2' ' A' ' 103' ' ' ARG . 14.3 t70 -69.03 132.69 90.19 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.752 -178.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.2 Cg_exo -60.66 -8.84 9.94 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.653 2.902 . . . . 0.0 114.374 -177.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.501 ' HD2' ' OD1' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -59.84 -27.15 66.39 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 117.96 0.346 . . . . 0.0 110.523 175.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -54.83 -40.96 70.13 Favored 'General case' 0 C--O 1.221 -0.406 0 C-N-CA 121.098 -0.241 . . . . 0.0 111.11 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.19 -10.79 59.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.856 0.36 . . . . 0.0 111.25 -178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.43 -34.03 12.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.075 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -105.72 -22.33 12.98 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -174.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.5 t -84.28 128.17 39.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.838 0.351 . . . . 0.0 110.571 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -99.66 112.53 24.75 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.164 176.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -101.77 114.63 28.88 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -119.97 167.29 12.31 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.209 -175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 96.4 m -115.47 120.49 39.71 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 17.7 p -65.04 136.62 56.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.988 0.423 . . . . 0.0 111.3 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.03 172.24 9.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.746 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -57.11 -20.09 23.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.792 -0.64 . . . . 0.0 112.199 -176.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -81.24 -3.06 51.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.554 0.216 . . . . 0.0 111.264 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.98 49.85 38.59 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -173.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -135.72 140.12 44.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.439 -0.381 . . . . 0.0 111.149 -171.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.563 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 43.4 p90 -128.62 137.33 51.62 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 169.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -133.93 121.92 22.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.136 -169.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.534 ' HB3' HD11 ' A' ' 124' ' ' ILE . 62.6 m-85 -133.73 136.77 44.83 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.482 ' OD2' ' HD2' ' A' ' 123' ' ' HIS . 6.2 p-10 -127.82 -177.94 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 171.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.482 ' HD2' ' OD2' ' A' ' 122' ' ' ASP . 15.8 m-70 65.13 27.55 12.36 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.649 0.262 . . . . 0.0 110.606 -175.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.534 HD11 ' HB3' ' A' ' 121' ' ' PHE . 49.6 mm -93.27 122.06 63.96 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.238 -171.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.436 ' HB3' ' HB2' ' A' ' 39' ' ' GLN . 17.3 Cg_exo -67.55 165.91 25.72 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.908 2.405 . . . . 0.0 111.327 174.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 58.9 m-80 -98.11 115.11 27.59 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.01 0.433 . . . . 0.0 110.84 -174.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.5 -168.11 38.47 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.944 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.9 p -97.05 130.31 44.37 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.73 0.3 . . . . 0.0 110.793 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -129.77 154.6 47.06 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.924 0.392 . . . . 0.0 111.046 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -105.36 118.07 35.61 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 53.3 mt -95.03 105.47 17.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 9.6 t -109.47 135.24 50.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.924 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.9 m -147.13 129.11 15.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.608 -179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -90.08 91.81 8.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.919 0.39 . . . . 0.0 109.964 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.615 ' HG ' ' CZ3' ' A' ' 137' ' ' TRP . 40.1 tp -110.05 109.83 20.52 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 36.9 p -134.4 129.94 36.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.239 -176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.615 ' CZ3' ' HG ' ' A' ' 135' ' ' LEU . 28.2 p90 -136.27 140.52 43.5 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.966 176.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 17.9 p -88.26 122.24 31.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.234 -176.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.13 128.64 54.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.577 179.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.537 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 23.8 pt20 -82.44 106.66 14.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.337 0.589 . . . . 0.0 110.394 177.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 51.0 p -112.31 115.68 29.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.367 -178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 33.6 t70 62.12 26.03 15.63 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.639 0.733 . . . . 0.0 110.308 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.84 -22.28 38.88 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.635 -0.711 . . . . 0.0 112.195 -177.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -94.81 118.87 32.47 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -176.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.2 m -83.44 116.66 22.62 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.636 -176.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 33.9 pt -107.27 152.92 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.571 179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.9 m -87.25 93.68 9.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.177 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -75.15 120.94 21.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.076 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 121.63 -152.59 16.81 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.732 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 88' ' ' ALA . . . 150.64 -158.81 27.85 Favored Glycine 0 N--CA 1.445 -0.747 0 N-CA-C 111.361 -0.695 . . . . 0.0 111.361 -178.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 25.0 m -92.3 102.53 15.03 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 177.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.539 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.6 p -90.26 131.67 36.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.885 0.374 . . . . 0.0 110.167 -178.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -128.88 109.58 11.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.056 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -110.09 134.44 52.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.251 -178.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.3 tp -84.87 121.37 27.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.175 178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 98.1 t -123.53 136.49 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.465 -178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 4.5 t -111.86 110.69 21.16 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.641 0.734 . . . . 0.0 110.513 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.35 108.95 19.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.369 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.8 m -134.64 36.3 3.13 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.376 -178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.16 148.8 19.32 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.305 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 22.4 p -98.48 16.55 21.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.334 0.588 . . . . 0.0 110.803 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.465 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 52.5 mt-30 -123.59 163.28 35.61 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.626 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 96.4 Cg_exo -44.17 109.61 0.17 Allowed 'Trans proline' 0 C--N 1.352 0.726 0 C-N-CA 123.238 2.625 . . . . 0.0 113.63 -178.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 5.1 tp-100 -95.22 112.87 24.52 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.561 178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.95 103.75 9.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.044 0.449 . . . . 0.0 110.294 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.51 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 60.0 t -115.25 119.01 60.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.493 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 90.7 mt -92.07 108.79 20.2 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.514 HD23 HD13 ' A' ' 50' ' ' LEU . 39.4 tp -80.53 96.42 6.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.335 0.588 . . . . 0.0 109.46 179.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 13.8 t -160.66 145.95 14.56 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.001 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.49 ' C ' ' HE ' ' A' ' 170' ' ' ARG . 3.5 tpm_? . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.4 m -64.56 -39.98 94.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.99 0.424 . . . . 0.0 111.012 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -142.1 113.97 8.01 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 175.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.8 t-80 -109.29 12.57 24.74 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.12 0.486 . . . . 0.0 110.206 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.0 p80 -135.5 153.39 51.75 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.493 -177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -118.13 137.91 52.63 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -138.6 99.18 3.75 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.722 0.296 . . . . 0.0 110.867 -177.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.8 p-80 -166.56 123.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.208 174.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.4 m170 -136.24 -20.5 1.43 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.417 176.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m -93.5 92.24 7.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.152 0.501 . . . . 0.0 111.596 -175.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 75.1 m -101.62 -13.53 17.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.591 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -135.48 108.11 0.67 Allowed Glycine 0 N--CA 1.444 -0.773 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.368 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 99.3 mt -91.92 -53.62 4.2 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.903 0.382 . . . . 0.0 110.336 -177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.4 m -90.39 146.23 34.14 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.532 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -57.53 -46.54 26.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.809 2.339 . . . . 0.0 112.168 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -127.64 125.76 40.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.802 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.82 148.54 33.56 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 54.6 p -83.44 111.45 19.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.809 0.304 . . . . 0.0 110.547 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -67.16 105.0 1.57 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.4 ttt -80.14 82.89 6.11 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.579 -169.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.59 157.82 45.7 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.374 175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.5 m -137.3 173.49 11.62 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 71.25 114.9 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.468 0 O-C-N 123.797 0.686 . . . . 0.0 110.947 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -77.31 75.0 4.84 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.72 2.28 . . . . 0.0 112.278 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 67.63 -90.09 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.904 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.8 t70 179.64 -69.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' HA ' ' HD3' ' A' ' 28' ' ' PRO . 91.2 mt -127.3 123.45 23.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 114.777 -1.101 . . . . 0.0 109.357 173.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.629 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 6.5 Cg_exo -72.73 115.96 4.54 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.678 2.252 . . . . 0.0 111.526 178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -70.3 -37.54 74.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -172.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -81.86 -39.99 0.96 Allowed Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -171.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.629 ' HG2' ' HB2' ' A' ' 28' ' ' PRO . 76.8 Cg_exo -55.04 1.08 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.039 0 C-N-CA 122.839 2.359 . . . . 0.0 115.067 177.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -66.52 -11.84 54.63 Favored 'General case' 0 CA--C 1.53 0.195 0 O-C-N 121.948 -0.47 . . . . 0.0 110.447 172.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -59.36 -25.25 64.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.008 173.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.512 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 20.6 tt0 -73.54 -10.97 60.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.917 -175.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -73.65 -1.38 18.68 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.761 0.315 . . . . 0.0 111.087 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.53 9.08 9.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.795 0.331 . . . . 0.0 111.003 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.79 6.76 32.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.351 -176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.8 p -99.03 146.99 25.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.606 -177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -122.66 155.51 36.24 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -96.54 0.44 50.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.088 0.471 . . . . 0.0 110.71 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.3 t -78.07 94.18 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.293 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.618 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -150.84 140.67 8.07 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -106.05 20.79 35.08 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.883 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.63 140.98 25.92 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.539 -0.839 . . . . 0.0 111.404 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.13 111.06 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.431 HG13 HG13 ' A' ' 124' ' ' ILE . 67.5 mt -93.45 122.2 44.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 120.799 0.333 . . . . 0.0 110.747 -176.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 14.0 m120 -114.47 103.6 11.2 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 175.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -116.25 139.34 15.2 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.107 -1.044 . . . . 0.0 113.309 -172.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -120.99 130.9 53.99 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 174.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 168' ' ' LEU . 50.3 tp -101.57 123.5 45.69 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.721 -175.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' HB3' ' HD2' ' A' ' 61' ' ' LYS . 28.7 p90 -162.73 116.25 1.68 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.305 174.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 169' ' ' THR . 83.0 mt -105.7 149.27 26.54 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.016 0.436 . . . . 0.0 110.996 -177.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.04 122.29 27.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.929 177.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.0 m -76.76 163.15 27.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.838 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.04 -27.71 68.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.814 0.34 . . . . 0.0 111.565 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.1 p -81.0 -2.97 50.08 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.441 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.68 32.15 25.19 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.984 -0.626 . . . . 0.0 112.251 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.25 156.33 18.22 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.7 mt -104.52 107.76 23.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 120.885 0.374 . . . . 0.0 110.437 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.411 HE22 ' HB3' ' A' ' 137' ' ' TRP . 10.1 tt0 -104.84 125.74 51.2 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.5 mmmp? -73.0 -69.36 0.42 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.764 0.316 . . . . 0.0 111.581 -171.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 116.31 101.2 2.23 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.58 -0.819 . . . . 0.0 111.192 -173.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.4 m -109.89 138.58 46.06 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 110.305 -0.258 . . . . 0.0 110.305 -173.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 61.39 32.24 19.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.257 0.551 . . . . 0.0 110.672 -178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.7 m -101.72 130.1 48.03 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.7 -175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -84.84 118.06 24.26 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.263 0.554 . . . . 0.0 111.641 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -94.01 119.72 42.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.159 -0.928 . . . . 0.0 109.747 175.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -95.36 116.42 28.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.93 0.395 . . . . 0.0 111.142 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.5 tp -99.63 100.89 11.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.906 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.471 ' HG2' HG13 ' A' ' 108' ' ' VAL . 44.2 mt-10 -114.75 133.52 22.56 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.353 -178.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.488 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 21.7 Cg_endo -61.62 131.1 34.1 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.961 2.441 . . . . 0.0 112.659 -178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.46 83.59 6.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.134 0.493 . . . . 0.0 110.382 179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.512 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 58.6 p -92.39 -176.67 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.983 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.6 p -68.14 -34.54 76.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.547 177.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -71.49 -39.1 71.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.155 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.494 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 81.1 mmm -74.03 -17.36 60.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.175 -177.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 77' ' ' LYS . 50.7 tptt -63.46 -42.42 98.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.984 0.421 . . . . 0.0 110.345 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.417 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -73.64 -40.0 64.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.633 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -64.16 -37.63 88.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.345 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -66.62 -34.19 77.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.742 178.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.07 63.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 -179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 47.9 mtpt -84.85 -22.79 29.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.12 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -130.27 -82.54 0.54 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.242 -177.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 79.56 -139.75 21.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.374 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.505 ' HB3' ' H ' ' A' ' 153' ' ' THR . 7.6 p30 -97.0 120.0 36.52 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -142.77 125.0 15.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.381 0.61 . . . . 0.0 111.782 -171.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -61.41 146.19 49.15 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.206 -0.907 . . . . 0.0 110.542 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.78 -21.32 64.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.667 -175.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.28 -23.3 67.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.86 0.362 . . . . 0.0 111.224 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -120.42 33.09 5.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.37 0.605 . . . . 0.0 110.457 177.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HA ' HD21 ' A' ' 86' ' ' LEU . 22.8 tpp85 -69.64 106.64 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.273 178.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 20.6 t70 -74.84 119.5 77.09 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.982 -177.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 86.7 Cg_endo -96.61 12.88 1.06 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.256 2.637 . . . . 0.0 112.325 176.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.43 -48.86 5.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.491 -176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 96.6 t -72.69 105.41 2.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.938 176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.439 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 29.7 pt20 -85.55 136.35 37.37 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.034 -176.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 6.5 Cg_exo -74.04 119.35 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.795 2.33 . . . . 0.0 111.506 176.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 22.4 Cg_exo -66.48 155.3 70.81 Favored 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.958 2.439 . . . . 0.0 112.266 179.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 63.6 t -70.05 105.18 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.762 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 68.2 mt -87.1 169.2 12.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.292 -178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 12.9 t70 -62.02 135.86 94.94 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.373 -176.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 46.2 Cg_exo -58.36 -13.69 17.55 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.758 2.972 . . . . 0.0 114.265 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HB3' ' CE2' ' A' ' 107' ' ' TYR . 21.5 mmt85 -55.59 -26.42 43.72 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.933 0.397 . . . . 0.0 111.181 176.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 67.1 mtp85 -58.52 -34.37 70.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.589 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.82 -19.59 64.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.115 0.483 . . . . 0.0 111.212 -178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.8 m -94.65 -38.13 10.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 103' ' ' ARG . 46.6 m-85 -85.84 -32.47 21.71 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -173.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.471 HG13 ' HG2' ' A' ' 70' ' ' GLU . 84.5 t -74.94 106.17 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.016 0.436 . . . . 0.0 110.577 -178.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -94.32 129.16 41.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.96 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -115.79 124.57 51.07 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.927 0.394 . . . . 0.0 110.907 -177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB2' ' CE2' ' A' ' 121' ' ' PHE . . . -111.23 123.27 49.86 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.397 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 25.5 m -93.18 119.48 32.42 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.649 -0.251 . . . . 0.0 110.391 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.528 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 67.3 p -64.18 127.54 31.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -78.52 -95.5 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -97.79 -68.0 0.82 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.691 -171.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.09 6.38 16.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.886 0.375 . . . . 0.0 111.005 -174.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.528 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 82.8 54.73 3.15 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.435 -177.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -137.28 152.33 49.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -176.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -155.53 164.99 37.93 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.322 0.389 . . . . 0.0 110.264 -178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -151.24 158.5 43.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.699 0.285 . . . . 0.0 110.78 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.521 ' CE2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -140.86 140.24 34.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.051 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -110.96 165.35 11.93 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.618 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 30.6 m80 63.01 70.72 0.54 Allowed 'General case' 0 CA--C 1.517 -0.295 0 O-C-N 123.59 0.556 . . . . 0.0 111.178 -177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.445 ' HA ' ' HD2' ' A' ' 125' ' ' PRO . 50.2 mm -121.95 108.39 34.68 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.818 178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.493 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 16.3 Cg_endo -61.06 137.48 71.97 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.168 1.912 . . . . 0.0 110.845 173.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -66.22 131.05 45.25 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.791 -175.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.54 -163.57 36.28 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.619 -0.801 . . . . 0.0 112.713 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 16.5 p -104.23 132.99 49.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 111.084 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.493 ' OH ' ' HG2' ' A' ' 125' ' ' PRO . 95.7 m-85 -135.69 151.43 50.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.79 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.405 ' CE1' HD13 ' A' ' 155' ' ' LEU . 22.2 m-85 -101.97 110.73 22.77 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.58 HD12 HG21 ' A' ' 156' ' ' VAL . 20.1 mt -94.35 107.73 19.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 177.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -115.06 136.37 53.19 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.113 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 17.0 m -138.56 139.79 38.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.462 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -90.04 91.65 8.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.12 0.485 . . . . 0.0 109.974 176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 41.4 tp -125.65 96.55 4.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.562 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.411 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.4 t -131.34 142.98 50.17 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.704 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.411 ' HB3' HE22 ' A' ' 60' ' ' GLN . 44.2 p90 -138.24 155.35 48.73 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.224 -178.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 65.1 p -108.25 146.07 33.39 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 120.824 0.345 . . . . 0.0 110.636 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -135.49 155.11 51.05 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.108 178.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -92.19 102.44 14.96 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.931 0.396 . . . . 0.0 110.4 -178.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 47.5 t -107.6 127.71 53.88 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.675 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 23.8 t70 65.16 -78.69 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.36 0 O-C-N 123.744 0.653 . . . . 0.0 111.154 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -159.94 19.87 0.25 Allowed Glycine 0 N--CA 1.446 -0.654 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 177.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -133.71 159.57 40.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.3 m -93.55 113.39 25.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 120.808 0.337 . . . . 0.0 110.164 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.8 pt -98.18 162.48 2.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.503 -178.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 33.9 m -113.57 123.83 50.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.662 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.403 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 54.1 mt-10 -118.24 119.96 36.24 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.884 177.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 104.84 179.28 24.46 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.121 -1.038 . . . . 0.0 112.579 174.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 165.8 -133.21 2.87 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -176.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 1.9 p -84.14 102.81 12.85 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.029 0.443 . . . . 0.0 110.222 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.4 p -92.66 97.34 7.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.75 0.786 . . . . 0.0 109.634 177.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.505 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 8.2 m -101.11 111.47 23.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.07 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 54.7 tttm -109.67 135.26 50.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.355 -177.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 130' ' ' TYR . 50.3 tp -80.27 107.83 13.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.066 176.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.58 HG21 HD12 ' A' ' 131' ' ' ILE . 98.9 t -107.28 135.81 44.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.308 -178.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 21.3 m -123.89 108.72 12.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.704 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 39.3 t -92.1 96.68 6.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.0 m -86.64 -29.81 22.24 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.259 -177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -114.0 139.57 15.72 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.368 -176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 6.0 m -82.62 56.51 3.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.408 0.623 . . . . 0.0 110.432 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.491 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 23.7 mt-30 -135.63 172.65 6.79 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 -177.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.491 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 53.4 Cg_exo -53.87 106.56 0.17 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.237 1.958 . . . . 0.0 111.953 173.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -106.46 104.61 14.35 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.65 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 28.9 ttpp -82.16 110.83 17.72 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.501 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.9 t -105.96 113.94 44.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.383 -176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 91.9 mt -88.92 102.99 15.61 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.717 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 50' ' ' LEU . 29.0 tp -81.75 94.66 7.05 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 -179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.534 ' HA ' HD23 ' A' ' 52' ' ' LEU . 15.3 t -156.82 172.93 17.76 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.534 -173.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.244 0.782 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.569 175.43 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.908 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 m -88.24 -17.11 31.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -175.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.4 p -92.62 5.53 50.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 110.953 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -61.37 117.78 6.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.691 -175.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -125.42 -160.91 0.99 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.606 175.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -80.56 136.82 36.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.941 0.4 . . . . 0.0 110.095 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 t60 -77.92 14.34 1.14 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.97 -174.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 68.98 -72.38 0.1 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.091 0.556 . . . . 0.0 111.478 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -139.3 117.6 11.97 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.787 0.327 . . . . 0.0 110.916 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m -122.85 26.82 8.01 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -95.45 -59.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.939 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -84.8 118.56 4.77 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.012 -0.613 . . . . 0.0 113.047 -175.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.796 HD23 ' H ' ' A' ' 13' ' ' LEU . 2.0 pt? -91.6 -14.58 29.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.132 0.492 . . . . 0.0 110.22 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.647 HG22 ' H ' ' A' ' 16' ' ' ARG . 7.3 p -104.25 135.6 19.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.73 177.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.71 -11.07 25.76 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.664 2.243 . . . . 0.0 113.375 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.647 ' H ' HG22 ' A' ' 14' ' ' VAL . 35.5 ttm180 -73.82 116.67 14.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.977 0.418 . . . . 0.0 110.063 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 117.93 2.83 16.23 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.892 -0.671 . . . . 0.0 111.65 -176.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.4 p -85.18 -57.71 2.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.192 0.52 . . . . 0.0 110.443 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -142.37 148.04 37.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.503 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -98.75 152.42 19.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.381 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.41 83.18 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.334 0.588 . . . . 0.0 111.009 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -96.4 44.41 1.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.484 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t30 69.24 100.87 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.47 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.985 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -80.27 -166.7 0.43 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.706 2.271 . . . . 0.0 112.212 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -80.47 155.67 26.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.02 -29.65 66.75 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.958 0.409 . . . . 0.0 110.622 -177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.8 mp -110.63 156.49 40.46 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.797 175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -67.49 163.19 35.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.592 2.195 . . . . 0.0 112.652 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -81.1 82.72 6.95 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.9 -175.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 86.2 m-85 -141.77 137.66 16.4 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.141 177.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 30' ' ' PHE . 6.9 Cg_exo -73.78 170.77 19.26 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.764 2.309 . . . . 0.0 112.162 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 mp0 -79.5 7.52 8.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.969 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -62.99 -22.27 66.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.759 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -64.03 -30.43 71.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.231 -179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -82.87 -22.4 34.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.096 0.474 . . . . 0.0 110.667 178.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.07 10.93 24.75 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.927 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.91 17.76 23.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.685 175.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.6 126.09 27.81 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.087 -0.961 . . . . 0.0 111.805 -177.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.521 ' HB2' ' CB ' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -82.27 -175.86 5.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.949 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -135.84 -54.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.204 0.526 . . . . 0.0 111.519 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.22 126.26 39.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.905 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.076 -173.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.534 ' HA3' ' HA ' ' A' ' 125' ' ' PRO . . . -174.92 138.58 4.41 Favored Glycine 0 N--CA 1.442 -0.93 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.129 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -96.99 33.85 5.47 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.886 -0.673 . . . . 0.0 111.889 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.22 83.86 0.85 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.735 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.487 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 66.4 t -82.42 110.72 17.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 174.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.5 mt -111.36 117.7 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 -178.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -102.29 106.89 17.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.633 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -112.22 130.86 9.84 Favored Glycine 0 N--CA 1.442 -0.94 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.984 -174.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -113.0 115.92 29.13 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 176.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD13 HD23 ' A' ' 168' ' ' LEU . 32.5 tp -94.17 133.64 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.239 -173.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -170.97 124.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.062 0.458 . . . . 0.0 110.356 172.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 89.1 mt -110.99 150.43 29.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.01 132.82 36.25 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.643 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.3 t -81.63 157.22 24.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.672 -0.695 . . . . 0.0 109.716 172.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.17 -8.66 47.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.135 0.493 . . . . 0.0 110.706 177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.2 m -93.4 -0.14 56.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 174.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 77.43 41.85 19.72 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.424 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -118.88 152.39 36.37 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.7 mt -102.39 116.63 46.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.12 0.486 . . . . 0.0 111.18 -177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.465 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 9.3 mm100 -94.29 123.26 37.58 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.963 175.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 12.4 mmtt -82.88 -63.47 1.36 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.042 -175.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 124.66 95.09 1.07 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.319 -0.943 . . . . 0.0 112.347 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 p -96.2 110.08 22.43 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 56.31 70.24 0.66 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.843 0.83 . . . . 0.0 109.367 -173.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 19.7 m -123.92 134.19 53.58 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.517 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -90.49 126.03 35.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.473 0.654 . . . . 0.0 112.59 -174.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.453 ' HA ' ' HB3' ' A' ' 133' ' ' SER . 60.4 t -102.42 116.88 46.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.259 172.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.2 123.13 42.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.772 0.32 . . . . 0.0 110.759 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.6 tp -100.61 99.44 10.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.86 177.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -108.29 141.7 23.76 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.009 0.433 . . . . 0.0 111.383 -176.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 38.2 Cg_endo -67.09 131.62 25.76 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.013 2.475 . . . . 0.0 112.985 -178.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -73.54 112.65 9.83 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.465 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.2 p -139.01 164.01 30.87 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.224 -178.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 67.6 m -67.67 -23.67 65.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.94 0.4 . . . . 0.0 110.315 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -64.28 -41.41 96.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.637 174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.1 OUTLIER -80.38 -27.64 38.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.428 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -52.35 -51.4 59.05 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.655 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.49 -30.0 66.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.532 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -76.88 -36.18 56.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.097 0.475 . . . . 0.0 110.261 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.668 ' HE1' HG21 ' A' ' 153' ' ' THR . 50.9 t80 -67.21 -32.7 73.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.076 179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.77 68.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.988 178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -82.33 -64.48 1.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -94.79 -93.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.128 -174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 65.06 -135.02 37.11 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.076 -177.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.579 ' HA ' ' O ' ' A' ' 151' ' ' THR . 4.9 p30 -76.14 114.4 14.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.029 0.442 . . . . 0.0 109.834 178.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.544 HD21 ' HA ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER -148.65 132.66 17.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.307 -173.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.556 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -62.51 143.45 57.16 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.529 -0.759 . . . . 0.0 111.409 178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.571 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -65.01 -22.12 66.95 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.717 175.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.54 -12.87 60.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.447 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.556 ' HG2' ' HB2' ' A' ' 87' ' ' ASP . 48.3 pttt -127.04 20.01 6.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.283 0.563 . . . . 0.0 109.678 176.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.571 ' HB2' ' HA ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -79.47 93.32 5.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.656 -178.513 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -69.45 118.39 61.9 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.165 -178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -85.73 -10.71 7.18 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 122.619 2.213 . . . . 0.0 112.59 -179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -87.78 -43.98 11.47 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.295 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.8 t -74.12 90.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.376 0.608 . . . . 0.0 109.936 176.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -86.05 149.0 49.27 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.17 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.436 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 9.9 Cg_endo -53.4 150.59 26.11 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 123.375 2.717 . . . . 0.0 112.698 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 9.9 Cg_exo -71.72 -163.49 0.14 Allowed 'Trans proline' 0 CA--C 1.529 0.258 0 C-N-CA 123.069 2.513 . . . . 0.0 112.168 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 41.5 t -75.57 103.33 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.84 0.353 . . . . 0.0 110.13 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 93.1 mt -111.1 164.0 13.29 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.818 -178.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 104' ' ' ARG . 17.8 t70 -72.64 127.9 89.19 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.339 175.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -82.84 -6.63 11.44 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.792 2.328 . . . . 0.0 112.915 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -83.96 -6.96 59.52 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.083 0.468 . . . . 0.0 110.377 -176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 101' ' ' ASP . 15.9 mtm105 -57.43 -30.37 64.93 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.081 175.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.76 -14.48 62.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.871 0.367 . . . . 0.0 111.194 -179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 58.9 m -95.23 -39.57 10.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.675 176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -79.94 -35.07 38.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.866 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.7 t -77.16 129.77 37.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.761 0.315 . . . . 0.0 110.573 -179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.444 ' NH1' HG12 ' A' ' 124' ' ' ILE . 64.9 mtp180 -90.99 130.45 36.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.191 -0.458 . . . . 0.0 109.876 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.88 118.7 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -177.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -111.13 116.72 31.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.211 176.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 22.5 m -94.89 130.35 41.53 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.486 -179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 39.2 p -66.7 124.11 21.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.664 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -54.02 -60.36 3.43 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.849 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -163.27 -56.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.771 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.403 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 17.4 m120 -86.92 31.49 0.7 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.675 -174.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.437 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 53.8 57.33 16.52 Favored Glycine 0 C--N 1.331 0.255 0 CA-C-N 116.053 -0.521 . . . . 0.0 113.42 177.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 118' ' ' ARG . 39.8 ttp180 -135.66 150.86 49.74 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 177.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 48' ' ' GLY . 28.2 p90 -145.72 124.21 12.42 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.268 0.556 . . . . 0.0 109.739 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -111.4 124.03 51.42 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.953 -177.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.546 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 50.2 m-85 -105.13 144.06 32.44 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.754 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -151.45 150.25 30.19 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.217 179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 38.8 m80 60.37 67.41 0.85 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.292 0.568 . . . . 0.0 110.716 -176.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.444 HG12 ' NH1' ' A' ' 109' ' ' ARG . 43.2 mt -129.0 125.02 22.71 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.882 177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.534 ' HA ' ' HA3' ' A' ' 42' ' ' GLY . 20.6 Cg_endo -61.36 133.69 47.68 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.307 2.004 . . . . 0.0 111.207 174.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -65.87 146.62 54.52 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.074 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 158.22 -176.36 35.22 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 5.5 t -96.26 130.84 43.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.052 0.453 . . . . 0.0 110.484 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.476 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 97.6 m-85 -140.0 159.44 42.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.887 -177.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.44 ' CE1' HD13 ' A' ' 155' ' ' LEU . 45.6 m-85 -105.43 126.97 52.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.957 174.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 153' ' ' THR . 64.5 mt -94.2 104.24 15.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 172.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 53.3 m -114.97 117.41 30.55 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.001 0.429 . . . . 0.0 110.59 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.453 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 13.2 p -134.19 133.34 40.81 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.456 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -100.33 100.88 11.73 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.048 0.451 . . . . 0.0 110.069 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.447 ' O ' ' HA3' ' A' ' 149' ' ' GLY . 54.0 tp -108.83 102.0 11.06 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 29.0 p -115.14 138.17 51.21 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.968 -177.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.465 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 42.9 p90 -145.66 157.01 44.01 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 49.6 m -102.13 132.31 48.1 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 120.918 0.39 . . . . 0.0 110.438 178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -125.43 170.83 10.99 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.785 -178.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 25.2 mm-40 -104.88 122.18 45.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.728 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 33.6 t -92.57 -88.98 0.2 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.002 0.429 . . . . 0.0 110.601 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -111.68 15.97 20.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.556 0.693 . . . . 0.0 109.608 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 124.61 -18.85 7.15 Favored Glycine 0 N--CA 1.443 -0.84 0 N-CA-C 110.173 -1.171 . . . . 0.0 110.173 -171.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -88.46 145.12 25.95 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 174.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 32.9 m -92.91 112.67 24.71 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 36.1 pt -106.37 151.08 8.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.726 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 17.0 m -96.7 110.56 22.98 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.164 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.409 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 38.7 mt-10 -97.12 178.14 5.36 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.529 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . 0.447 ' HA3' ' O ' ' A' ' 135' ' ' LEU . . . 85.13 -134.11 12.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.585 -178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.31 -158.26 16.99 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.69 -0.767 . . . . 0.0 111.612 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.579 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 16.5 p -88.93 103.24 15.84 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.105 0.479 . . . . 0.0 110.218 178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.3 p -98.91 123.98 51.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.948 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.668 HG21 ' HE1' ' A' ' 80' ' ' TYR . 10.1 m -117.19 128.07 54.73 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -178.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -110.83 119.35 38.82 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' A' ' 130' ' ' TYR . 61.9 tp -80.86 116.9 21.08 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 95.5 t -125.32 130.72 72.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.75 -176.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 3.4 t -118.07 94.59 4.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.482 0.658 . . . . 0.0 110.252 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.458 HG21 HD11 ' A' ' 46' ' ' ILE . 64.9 t -80.1 96.44 2.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.046 -178.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 21.3 m -108.32 61.46 0.61 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.554 0.692 . . . . 0.0 109.744 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 173.59 -158.57 27.88 Favored Glycine 0 N--CA 1.443 -0.887 0 CA-C-N 114.977 -1.011 . . . . 0.0 111.369 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 49.7 m -143.91 29.81 1.34 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.135 0.493 . . . . 0.0 111.067 178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -96.61 150.52 37.1 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.897 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.6 Cg_exo -60.0 105.74 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.449 2.099 . . . . 0.0 111.134 174.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -99.31 111.45 23.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.733 -174.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.455 ' NZ ' ' HB3' ' A' ' 165' ' ' LYS . 6.5 ttpm? -79.02 117.51 20.14 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.632 178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.633 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 58.9 t -125.38 127.9 72.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.358 -178.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 87.5 mt -95.31 109.5 21.63 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.923 0.392 . . . . 0.0 110.038 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.497 HD23 HD13 ' A' ' 50' ' ' LEU . 34.7 tp -81.79 85.08 6.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.775 0.798 . . . . 0.0 109.314 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.0 t -137.78 174.08 10.96 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 114.753 -1.112 . . . . 0.0 108.666 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.41 HH22 ' CG ' ' A' ' 87' ' ' ASP . 56.9 ttt180 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.551 -0.738 . . . . 0.0 110.526 -176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.72 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.4 m -77.47 76.36 4.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.091 0.472 . . . . 0.0 111.551 -178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.1 m -161.43 166.62 27.0 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.96 119.58 9.71 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 173.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -81.44 95.29 7.02 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.675 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 t60 54.34 65.17 1.58 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.653 179.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.42 ' HB3' ' H ' ' A' ' 8' ' ' HIS . 16.9 m80 -146.64 -161.0 1.23 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.89 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.42 ' H ' ' HB3' ' A' ' 7' ' ' HIS . 24.9 m-70 -91.85 146.54 23.67 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.423 0.63 . . . . 0.0 111.406 178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 36.3 t60 -144.67 73.06 1.36 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 m -63.82 121.93 15.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.15 -0.932 . . . . 0.0 111.499 -172.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.5 m 68.1 94.08 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.92 0.762 . . . . 0.0 112.071 175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.65 81.19 0.36 Allowed Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 175.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.52 155.54 37.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.447 0.165 . . . . 0.0 110.831 -176.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 67.0 t 73.42 117.56 0.03 OUTLIER Pre-proline 0 CA--C 1.53 0.19 0 O-C-N 123.981 0.801 . . . . 0.0 110.752 -178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 14' ' ' VAL . 2.9 Cg_exo -74.98 39.78 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 123.426 2.751 . . . . 0.0 112.174 -179.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -68.97 112.66 5.76 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.282 0.563 . . . . 0.0 109.553 -177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.92 -26.94 5.25 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 110.561 -1.015 . . . . 0.0 110.561 -171.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.0 m -98.42 72.72 2.09 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -79.55 89.49 5.08 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.811 -0.631 . . . . 0.0 109.761 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.6 mtt -60.45 156.32 16.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.352 -177.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.67 66.24 2.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.312 0.577 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 54.4 m -144.17 28.88 1.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.442 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.72 143.01 43.04 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.532 -176.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -61.14 121.03 9.03 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.836 2.357 . . . . 0.0 112.13 178.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -122.14 18.01 10.77 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.066 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -76.94 -81.75 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.706 176.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.6 mt -112.66 92.04 19.02 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-O 121.118 0.485 . . . . 0.0 110.109 174.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -89.9 -168.89 0.33 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 123.244 2.63 . . . . 0.0 112.712 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.625 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 9.4 t70 -139.03 164.48 29.65 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 177.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.625 ' HB2' ' O ' ' A' ' 29' ' ' ASP . 45.3 m-85 105.8 -50.22 0.0 OUTLIER Pre-proline 0 N--CA 1.487 1.381 0 C-N-CA 125.207 1.403 . . . . 0.0 114.125 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.615 ' HD2' ' C ' ' A' ' 29' ' ' ASP . 50.4 Cg_endo -68.52 52.98 0.69 Allowed 'Trans proline' 0 C--N 1.362 1.287 0 C-N-CA 122.354 2.036 . . . . 0.0 113.445 179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.61 -28.48 37.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.289 0.566 . . . . 0.0 110.537 178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -72.85 -7.43 50.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.509 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -68.37 -20.82 64.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.846 0.355 . . . . 0.0 111.092 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -68.17 -29.81 68.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.391 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -103.28 8.74 38.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.99 0.424 . . . . 0.0 111.059 -177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.59 -16.62 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.781 -175.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -90.65 -29.78 17.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.486 -0.325 . . . . 0.0 111.536 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 66.93 -164.6 0.22 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.592 -175.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -122.24 -30.98 3.91 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.638 0.606 . . . . 0.0 112.638 -173.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.02 112.13 12.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 0.0 110.931 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.495 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -157.22 148.78 18.95 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.97 -0.634 . . . . 0.0 111.707 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -112.93 37.18 3.74 Favored Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.596 -0.811 . . . . 0.0 112.375 -179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.549 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -82.5 137.73 17.29 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.118 177.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.7 t -124.14 120.81 60.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.543 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 65.3 mt -116.81 127.81 74.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.765 0.316 . . . . 0.0 111.021 -175.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -109.06 107.76 18.21 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 174.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.562 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -113.99 122.47 5.75 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.075 -1.06 . . . . 0.0 113.728 -171.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -103.46 124.56 48.97 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 173.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 168' ' ' LEU . 30.9 tp -105.28 125.54 51.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.865 0.364 . . . . 0.0 110.919 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 29.4 p90 -161.03 113.07 1.87 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.464 0.65 . . . . 0.0 110.285 173.154 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 HD12 HD23 ' A' ' 135' ' ' LEU . 93.1 mt -109.57 125.57 52.68 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.352 -179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -91.29 132.76 35.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 175.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 28.4 p -73.57 161.88 29.86 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 171.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.2 -10.3 53.34 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.656 0.741 . . . . 0.0 109.511 174.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.9 t -79.53 -15.15 58.21 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 114.86 -1.064 . . . . 0.0 110.359 174.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.74 32.87 8.24 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.897 178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.7 121.99 40.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.719 0.295 . . . . 0.0 110.712 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 90.4 mt -89.34 121.8 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 21.3 mm-40 -106.64 125.99 51.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.241 176.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.706 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 27.4 mmtp -76.12 -21.89 56.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 110.882 178.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.38 84.57 0.81 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.507 -0.854 . . . . 0.0 111.71 179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.3 m -99.48 137.24 38.25 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 61.7 t30 54.65 49.73 17.44 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.927 0.87 . . . . 0.0 109.439 -173.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 25.1 m -119.91 125.57 48.77 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.834 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.571 ' HE2' ' HB3' ' A' ' 110' ' ' GLU . 81.8 tttt -94.34 119.04 32.5 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.196 0.522 . . . . 0.0 110.941 -173.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -92.29 138.48 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.461 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -114.61 112.19 22.51 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.44 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 109' ' ' ARG . 53.4 tp -95.97 110.47 22.68 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.769 ' HG2' HG22 ' A' ' 108' ' ' VAL . 36.9 mt-10 -117.52 143.32 31.96 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.052 -172.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.501 ' HA ' ' CD2' ' A' ' 129' ' ' TYR . 27.3 Cg_exo -64.37 147.65 90.78 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.792 2.328 . . . . 0.0 111.894 176.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.08 69.07 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.41 0.624 . . . . 0.0 109.995 174.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.55 133.14 47.3 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.645 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 22.8 t -52.14 -35.96 49.92 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-O 120.938 0.399 . . . . 0.0 110.953 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -73.04 -44.81 60.28 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.012 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.9 mmm -77.12 -18.53 57.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.684 -175.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -59.31 -40.97 87.94 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.781 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.21 60.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.077 0.465 . . . . 0.0 110.834 179.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -63.68 -40.22 96.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.607 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.427 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 37.8 m-85 -85.13 3.46 38.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.936 0.398 . . . . 0.0 112.053 -177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.55 -29.62 46.42 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 164.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HB3' ' HE3' ' A' ' 82' ' ' LYS . 30.5 mmmt -85.1 -63.6 1.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.067 177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -102.84 22.45 13.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.896 -172.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -75.81 -68.95 1.45 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.971 -176.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -111.18 93.79 4.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.018 0.437 . . . . 0.0 109.839 -179.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.634 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.8 tt -136.83 113.4 10.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.574 -175.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.56 ' HB2' ' HG3' ' A' ' 90' ' ' LYS . 3.4 m-20 -62.92 151.81 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.101 174.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.19 -24.58 64.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.056 0.455 . . . . 0.0 110.99 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.7 -16.5 60.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.253 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.634 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 91.7 mttt -88.83 -3.3 58.79 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.463 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -61.9 103.14 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.461 ' HB3' HG23 ' A' ' 95' ' ' VAL . 23.1 t70 -103.64 132.77 20.74 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.264 -177.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.44 -12.18 32.01 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 123.028 2.485 . . . . 0.0 113.555 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -91.65 -17.28 25.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.473 0.654 . . . . 0.0 110.15 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.461 HG23 ' HB3' ' A' ' 92' ' ' ASP . 31.2 t -94.84 93.18 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.05 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.459 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 91.7 mt-30 -104.86 135.39 19.31 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.563 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 8.3 Cg_exo -72.41 121.31 7.36 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 122.858 2.372 . . . . 0.0 111.988 177.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.6 163.82 37.41 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 123.075 2.517 . . . . 0.0 112.17 177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.1 t -80.31 117.0 25.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.566 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -100.7 170.43 8.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.479 -178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.471 ' OD1' ' HG2' ' A' ' 103' ' ' ARG . 13.0 t70 -68.89 136.53 89.85 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.898 -177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 35.4 Cg_exo -61.22 -5.08 4.61 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 123.567 2.845 . . . . 0.0 114.45 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.736 ' HE ' ' HA ' ' A' ' 103' ' ' ARG . 1.4 mmp_? -55.44 -29.45 58.67 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.355 0.598 . . . . 0.0 110.047 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 46.1 mtp85 -57.14 -38.08 72.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.318 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.95 -8.66 31.21 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 90.2 m -116.2 -44.73 2.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.375 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.699 ' HE2' ' HD3' ' A' ' 103' ' ' ARG . 64.8 m-85 -77.16 -20.57 55.32 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -175.49 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.769 HG22 ' HG2' ' A' ' 70' ' ' GLU . 78.9 t -78.27 106.18 8.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 175.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.496 ' HB2' ' HB3' ' A' ' 69' ' ' LEU . 33.7 mtp180 -77.6 123.78 27.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.067 0.46 . . . . 0.0 110.235 -178.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.571 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 31.5 mt-10 -102.46 131.48 49.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.48 -175.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -138.83 155.99 47.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.703 178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 9.9 m -117.25 127.12 53.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.308 -0.405 . . . . 0.0 109.973 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.447 HG22 ' HD1' ' A' ' 119' ' ' PHE . 24.2 p -68.91 141.14 55.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.97 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -82.5 -174.95 5.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.697 0.284 . . . . 0.0 110.692 176.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -60.65 -26.93 67.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.795 -175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.552 HD22 ' HB2' ' A' ' 118' ' ' ARG . 8.2 t30 -75.88 -11.51 59.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.706 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 73.06 40.37 51.22 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 -172.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.552 ' HB2' HD22 ' A' ' 116' ' ' ASN . 79.1 ttt180 -137.37 153.34 50.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.498 -0.351 . . . . 0.0 110.154 -175.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.447 ' HD1' HG22 ' A' ' 113' ' ' THR . 41.7 p90 -147.77 167.48 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.909 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -148.45 143.44 26.75 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.122 0.487 . . . . 0.0 110.617 177.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.543 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 53.6 m-85 -120.07 154.72 34.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.982 -177.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -152.99 159.39 42.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.337 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.495 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 36.2 t-80 64.0 58.17 1.23 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.467 0.651 . . . . 0.0 110.427 -178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.487 HG12 HH11 ' A' ' 109' ' ' ARG . 67.2 mt -129.07 129.5 23.39 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.205 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.64 141.71 95.88 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.305 2.003 . . . . 0.0 111.1 173.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -80.29 133.74 36.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.323 0.582 . . . . 0.0 111.754 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.7 -174.39 43.34 Favored Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 63.3 m -82.93 132.91 35.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.094 0.447 . . . . 0.0 110.701 178.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.501 ' CD2' ' HA ' ' A' ' 71' ' ' PRO . 86.1 m-85 -135.27 168.78 18.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.328 0.585 . . . . 0.0 111.224 -178.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -120.04 131.73 55.22 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.542 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 81.7 mt -101.06 104.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.3 m -98.7 129.17 45.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.81 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.1 m -143.55 127.93 17.84 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.881 177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -92.23 91.36 7.7 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.835 174.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.524 HD23 HD12 ' A' ' 52' ' ' LEU . 53.7 tp -119.65 102.82 8.89 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 177.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.498 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 9.1 t -131.02 143.9 51.06 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.194 -178.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 46.3 p90 -146.8 164.12 33.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.141 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 34.0 m -96.89 125.04 41.05 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.826 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.16 124.1 51.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.124 0.487 . . . . 0.0 110.511 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -84.04 101.03 11.46 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.891 -177.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.9 t -106.74 107.45 18.47 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.268 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.8 t70 66.13 -78.01 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.904 177.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -138.16 -1.35 2.29 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.886 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -134.14 141.83 47.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.098 0.449 . . . . 0.0 110.537 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 2.1 m -87.53 114.39 24.1 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.399 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 27.4 pt -93.69 145.8 7.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 18.4 m -86.92 103.15 15.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.15 0.5 . . . . 0.0 110.174 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.415 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 6.5 mm-40 -98.87 142.33 30.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.97 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 85.04 -166.79 41.07 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.661 175.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 146.7 -138.55 7.43 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 26.3 m -88.09 106.88 18.46 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.89 0.345 . . . . 0.0 110.07 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 6.6 p -109.79 121.71 63.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.077 0.465 . . . . 0.0 110.125 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 29.3 m -110.3 121.79 46.13 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.902 176.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.491 ' HE2' ' O ' ' A' ' 167' ' ' LEU . 61.4 tttp -109.42 125.94 52.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 -177.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 68.1 tp -80.13 120.07 23.77 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.335 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 58.4 t -134.78 122.36 37.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.891 -178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.566 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 87.6 m -87.53 105.05 17.05 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.317 0.58 . . . . 0.0 109.801 173.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.2 t -86.9 89.92 3.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.696 -176.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 20.4 m -108.42 8.43 27.47 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.449 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.452 ' HA3' ' HB2' ' A' ' 164' ' ' GLN . . . -91.69 94.14 1.9 Allowed Glycine 0 N--CA 1.441 -0.981 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.794 -175.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.549 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.1 t -71.93 -28.54 63.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -84.27 158.51 60.81 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 170.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -46.59 101.32 0.04 OUTLIER 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.935 2.424 . . . . 0.0 112.735 -178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.452 ' HB2' ' HA3' ' A' ' 160' ' ' GLY . 58.3 tt0 -96.45 112.58 24.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.566 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -84.55 115.99 22.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.249 0.547 . . . . 0.0 110.728 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.562 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 64.0 t -116.23 117.2 54.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.914 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.491 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 6.6 mp -89.61 109.53 20.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-O 121.118 0.485 . . . . 0.0 109.914 178.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 50' ' ' LEU . 38.0 tp -77.34 98.72 5.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.835 -0.621 . . . . 0.0 109.676 -178.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.428 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.5 t -167.36 170.9 11.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.438 -177.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? . . . . . 0 C--O 1.248 0.979 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.773 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -78.37 -30.36 47.89 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.609 0.242 . . . . 0.0 110.364 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m 66.96 -68.78 0.14 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.621 0.768 . . . . 0.0 112.586 177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.1 t-80 -129.03 119.83 24.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -119.05 146.29 45.18 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.65 175.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -83.63 96.67 8.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.522 0.677 . . . . 0.0 110.662 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -78.32 -24.93 46.4 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.38 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -100.6 93.2 5.48 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.5 t-80 -172.53 73.9 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.501 -175.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.0 p -76.88 -35.45 57.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.489 -178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.5 m -68.62 97.82 0.83 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 139.36 -18.52 3.07 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 tp -78.06 -29.84 49.45 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.501 0.667 . . . . 0.0 109.264 174.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.698 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 27.0 m -79.81 166.87 38.0 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.754 174.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.698 ' HD2' ' HB ' ' A' ' 14' ' ' VAL . 57.1 Cg_endo -70.79 34.77 0.25 Allowed 'Trans proline' 0 N--CA 1.476 0.496 0 C-N-CA 122.923 2.415 . . . . 0.0 113.371 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 58.45 31.44 20.97 Favored 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 123.276 0.63 . . . . 0.0 110.633 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.26 124.19 0.91 Allowed Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.223 178.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.4 m -90.37 -16.91 28.22 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 176.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 69.38 -78.61 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.635 -179.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 86.5 mtp 58.16 27.16 14.66 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.154 0.502 . . . . 0.0 111.03 178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.27 -140.96 0.18 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.09 -177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m 71.11 30.87 2.6 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.299 0.571 . . . . 0.0 110.452 178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -94.6 112.03 56.28 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.701 -178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -92.14 125.99 0.82 Allowed 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.024 2.483 . . . . 0.0 111.817 175.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -81.49 -72.06 0.45 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.755 -177.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -168.0 -65.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.359 0.599 . . . . 0.0 109.689 -179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -80.93 160.19 66.8 Favored Pre-proline 0 C--N 1.319 -0.745 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.847 173.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -75.1 -163.05 0.17 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.806 2.337 . . . . 0.0 111.38 174.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.601 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 9.1 t70 -78.44 -171.41 2.44 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -112.37 91.82 17.6 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 122.134 -0.354 . . . . 0.0 111.306 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.601 ' HD3' ' O ' ' A' ' 29' ' ' ASP . 31.5 Cg_endo -97.79 115.59 0.11 Allowed 'Trans proline' 0 N--CA 1.45 -1.084 0 C-N-CA 123.704 2.936 . . . . 0.0 112.026 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -85.51 -6.27 59.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.317 0.579 . . . . 0.0 109.928 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -53.36 -41.24 65.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.528 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.9 -28.91 69.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.742 0.306 . . . . 0.0 111.559 -178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.417 ' HB3' ' HE2' ' A' ' 107' ' ' TYR . 89.9 m-85 -85.17 -29.57 24.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.87 0.367 . . . . 0.0 110.636 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.11 -20.83 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.207 -179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.68 31.06 0.96 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.105 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.1 p -100.47 -178.72 3.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.461 179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -152.67 156.87 40.05 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -111.47 -11.3 14.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.611 177.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.2 t -67.83 95.39 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.615 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.537 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -151.74 146.56 15.44 Favored Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.759 -178.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -127.69 17.7 6.07 Favored Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 175.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.459 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.96 135.04 25.88 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.081 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.4 t -108.74 106.3 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.8 mt -100.49 111.28 29.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.203 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.4 ' HB3' ' NH2' ' A' ' 118' ' ' ARG . 14.0 m120 -103.45 115.99 31.56 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.655 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -117.3 122.13 5.35 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.238 -0.982 . . . . 0.0 113.917 -172.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.55 109.26 21.8 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 173.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.525 HD13 HD23 ' A' ' 168' ' ' LEU . 37.9 tp -88.04 132.84 34.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.739 0.304 . . . . 0.0 110.927 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.49 ' HB2' HG23 ' A' ' 59' ' ' ILE . 43.7 p90 -171.15 126.48 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.965 173.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 81.0 mt -117.3 134.18 55.11 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.666 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' A' ' 58' ' ' ALA . 0.2 OUTLIER -82.99 126.78 32.91 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.235 178.491 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.2 m -74.79 158.95 32.6 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.681 175.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -10.23 59.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.433 0.635 . . . . 0.0 110.154 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 p -93.15 8.87 38.36 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.493 175.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.85 64.08 3.07 Favored Glycine 0 C--N 1.333 0.376 0 CA-C-N 115.791 -0.64 . . . . 0.0 112.768 177.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' O ' ' HA ' ' A' ' 53' ' ' THR . . . -148.57 163.18 38.01 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.49 HG23 ' HB2' ' A' ' 51' ' ' TYR . 53.1 mt -109.59 112.76 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.118 0.485 . . . . 0.0 111.425 -178.431 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.48 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 15.5 mm100 -94.65 109.63 21.54 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 169.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 23.8 tptt -75.85 -25.97 56.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.06 -170.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.58 86.24 0.99 Allowed Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.431 -0.89 . . . . 0.0 111.63 -178.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.3 m -104.89 129.47 53.24 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -177.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 62.22 40.83 11.18 Favored 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.641 0.588 . . . . 0.0 110.135 -176.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 10.0 m -112.92 136.88 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.364 -177.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -83.29 120.95 26.48 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.214 0.53 . . . . 0.0 111.807 -179.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.1 t -99.81 116.7 43.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.433 172.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' HA ' ' O ' ' A' ' 109' ' ' ARG . . . -102.4 126.42 49.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.79 0.329 . . . . 0.0 111.118 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.0 tt -116.28 129.71 56.41 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.68 177.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 108' ' ' VAL . 6.2 pt-20 -138.96 155.44 72.96 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.798 179.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.471 ' HA ' ' CD1' ' A' ' 129' ' ' TYR . 16.5 Cg_exo -68.27 136.3 36.82 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 123.048 2.499 . . . . 0.0 112.614 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.16 106.22 9.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.955 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 81.3 p -100.78 166.92 10.62 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.542 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t -77.58 -22.43 50.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.455 0.645 . . . . 0.0 109.681 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -73.75 -37.45 65.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.027 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.7 tpt -75.5 -3.54 34.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.476 -173.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -55.84 -42.53 75.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.967 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.508 ' O ' ' HG2' ' A' ' 82' ' ' LYS . . . -68.39 -46.22 70.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.161 -177.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -63.93 -35.48 80.81 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.483 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' HE1' HG21 ' A' ' 153' ' ' THR . 90.2 t80 -62.83 -35.6 80.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.479 178.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.51 -25.93 61.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.008 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 78' ' ' ALA . 31.2 mmmt -72.84 -44.82 60.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.133 0.492 . . . . 0.0 110.319 179.01 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -124.69 -82.11 0.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.762 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.82 -128.17 42.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 121.003 -0.618 . . . . 0.0 111.929 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.474 ' HA ' ' O ' ' A' ' 151' ' ' THR . 3.0 p30 -80.34 78.14 7.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.914 0.864 . . . . 0.0 109.904 176.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.562 HD21 ' HA ' ' A' ' 91' ' ' ARG . 6.9 tt -106.14 114.79 29.14 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.157 -174.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.12 149.53 47.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.562 174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.78 -21.89 66.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -175.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.65 -32.8 74.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.945 0.403 . . . . 0.0 110.895 178.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.527 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 55.7 pttt -107.44 27.9 8.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.997 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.562 ' HA ' HD21 ' A' ' 86' ' ' LEU . 16.3 tpp180 -67.51 101.22 0.96 Allowed 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 173.127 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 26.1 t70 -77.04 119.76 78.84 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.903 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 2.0 Cg_endo -82.62 -9.0 11.28 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.785 2.323 . . . . 0.0 112.663 179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -77.14 -43.44 34.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.924 0.393 . . . . 0.0 110.624 -178.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.63 110.92 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.42 0.629 . . . . 0.0 110.833 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -96.59 147.86 33.57 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.069 175.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.81 115.99 2.91 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.319 2.013 . . . . 0.0 111.63 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.38 174.94 11.31 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.875 2.383 . . . . 0.0 112.93 -175.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 34.9 t -68.43 102.23 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.587 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 90.5 mt -102.57 178.18 4.65 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.245 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 5.7 p-10 -73.42 156.74 88.71 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.972 -178.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 2.6 Cg_exo -77.19 -8.91 17.7 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.883 2.389 . . . . 0.0 112.23 177.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -75.52 -25.69 57.45 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.007 -177.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 4.2 mmp_? -44.44 -67.66 0.26 Allowed 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.646 172.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.18 -4.31 7.36 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.077 -175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.9 m -88.0 -43.7 11.53 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.854 0.359 . . . . 0.0 110.448 177.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.417 ' HE2' ' HB3' ' A' ' 35' ' ' TYR . 65.7 m-85 -94.5 -21.31 18.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.82 -175.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' ARG . 99.1 t -68.47 114.93 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 176.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ALA . 75.2 ttt180 -101.37 130.82 47.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.415 -178.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -107.61 122.61 47.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.79 0.328 . . . . 0.0 111.092 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -117.65 117.34 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.484 175.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 18.5 m -82.32 120.1 24.98 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.583 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.522 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 28.4 p -62.95 149.04 45.73 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -76.99 -164.27 0.43 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.476 0.655 . . . . 0.0 111.643 -175.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -58.36 -35.58 72.18 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.707 177.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -77.97 -68.31 0.64 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 176.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.522 ' HA2' ' HB ' ' A' ' 113' ' ' THR . . . 141.54 42.67 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.755 -176.425 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.4 ' NH2' ' HB3' ' A' ' 47' ' ' ASN . 20.4 ttt180 -121.32 154.02 36.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.851 0.358 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -141.62 137.16 31.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.738 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -125.68 134.5 51.8 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.516 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 67.9 m-85 -116.8 150.25 38.64 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.915 0.388 . . . . 0.0 111.209 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.44 168.17 20.37 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 172.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.537 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 21.6 t-80 65.76 38.69 5.1 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.728 0.775 . . . . 0.0 110.356 -178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.414 HG21 HD11 ' A' ' 46' ' ' ILE . 1.6 mp -100.42 120.52 56.04 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.574 178.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' HG2' ' OH ' ' A' ' 129' ' ' TYR . 36.7 Cg_endo -69.0 152.6 73.2 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 122.259 1.973 . . . . 0.0 111.2 174.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -67.44 142.62 56.61 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.799 0.333 . . . . 0.0 110.42 -178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 149.12 -177.57 27.24 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.588 -176.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 9.4 m -101.29 132.26 46.91 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.961 0.38 . . . . 0.0 110.908 -177.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.471 ' CD1' ' HA ' ' A' ' 71' ' ' PRO . 81.0 m-85 -133.93 162.1 32.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.789 0.328 . . . . 0.0 111.092 -176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.49 ' CE1' HD13 ' A' ' 155' ' ' LEU . 55.9 m-85 -110.04 120.77 43.52 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.219 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.485 HD12 HG21 ' A' ' 156' ' ' VAL . 59.2 mt -97.33 104.7 16.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 173.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.467 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 49.8 m -114.61 119.19 35.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.747 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 152' ' ' VAL . 37.5 t -125.33 131.87 52.94 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -96.06 91.31 5.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.39 0.614 . . . . 0.0 110.171 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 tp -111.41 101.88 10.29 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.237 -0.892 . . . . 0.0 109.447 178.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 2.8 t -132.01 134.89 46.08 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.201 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.48 ' CD2' ' HG3' ' A' ' 60' ' ' GLN . 49.4 p90 -132.22 170.07 15.55 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.978 -175.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 5.5 p -117.4 123.41 46.36 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.649 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -126.51 137.34 53.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.561 -179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.558 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 67.5 mt-30 -85.47 110.51 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.04 0.448 . . . . 0.0 110.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 50.3 m -102.86 104.29 14.53 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.804 177.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 55.62 41.81 30.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.335 -178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 94.46 -23.34 32.59 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.732 178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -94.86 110.13 22.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.911 0.386 . . . . 0.0 110.824 -179.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 7.3 m -70.52 112.69 6.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.286 177.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 46.2 pt -106.0 152.2 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 5.1 m -99.11 112.21 24.4 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.268 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.465 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 37.7 mt-10 -104.19 150.3 24.49 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 178.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 89.6 178.12 45.32 Favored Glycine 0 N--CA 1.441 -0.967 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.361 175.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 168.12 -145.1 9.35 Favored Glycine 0 N--CA 1.443 -0.88 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -177.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.474 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 18.1 m -84.08 102.48 12.56 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.467 ' O ' ' HA ' ' A' ' 132' ' ' SER . 10.4 p -94.58 132.08 39.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.413 HG21 ' HE1' ' A' ' 80' ' ' TYR . 20.9 m -114.51 121.07 42.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.049 0.452 . . . . 0.0 110.852 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -109.54 117.25 33.47 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.379 175.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.49 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.0 tp -80.03 113.29 18.08 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.485 HG21 HD12 ' A' ' 131' ' ' ILE . 76.0 t -121.93 122.89 67.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.647 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 13.6 t -112.26 121.02 43.73 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.457 0.646 . . . . 0.0 109.579 176.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 47.3 t -94.41 112.69 27.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.222 -176.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.1 p -66.62 -45.39 79.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.857 -177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -159.65 -167.63 20.54 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.352 -178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.459 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.5 m -83.91 58.24 4.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.444 0.64 . . . . 0.0 110.645 -177.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -120.15 167.08 13.33 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.047 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -69.9 107.47 1.89 Allowed 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.73 2.287 . . . . 0.0 111.529 179.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -104.05 103.46 13.27 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.079 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 5.7 ttpm? -84.37 116.28 22.95 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 177.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.655 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 61.7 t -124.59 111.32 27.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.328 -178.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.9 mp -83.7 112.21 19.85 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.525 HD23 HD13 ' A' ' 50' ' ' LEU . 29.8 tp -79.69 82.7 5.76 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 121.939 0.876 . . . . 0.0 109.947 -177.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 15.1 t -140.41 -158.97 0.91 Allowed 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 114.294 -1.321 . . . . 0.0 107.833 176.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 170' ' ' ARG . 7.2 tpt180 . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.684 -0.674 . . . . 0.0 110.393 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.756 0 N-CA-C 111.96 -0.456 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -83.06 15.05 2.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.691 0.281 . . . . 0.0 111.076 -176.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -61.09 -30.86 70.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' HIS . 11.0 p80 -108.23 126.18 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.33 176.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 4' ' ' HIS . 34.0 m-70 71.57 93.48 0.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 O-C-N 124.005 0.816 . . . . 0.0 110.731 -173.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -102.18 148.51 25.33 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.448 -0.797 . . . . 0.0 109.944 176.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -71.43 81.41 0.78 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.273 0.559 . . . . 0.0 111.388 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 64.3 m170 -112.72 140.73 47.25 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 173.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -92.46 27.23 2.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.627 0.727 . . . . 0.0 109.495 179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.3 p -82.63 76.92 9.45 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.307 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.8 p -94.73 3.15 55.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.638 0.732 . . . . 0.0 109.39 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.03 -135.64 7.26 Favored Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 114.761 -1.109 . . . . 0.0 110.693 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.596 ' HG ' ' H ' ' A' ' 14' ' ' VAL . 1.7 pt? -143.97 -58.98 0.39 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 176.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 7.8 m -136.4 120.91 12.78 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.614 177.088 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -65.38 -42.95 11.72 Favored 'Trans proline' 0 N--CA 1.464 -0.257 0 C-N-CA 122.394 2.063 . . . . 0.0 112.07 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 ttt85 50.47 -91.79 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.814 0.846 . . . . 0.0 112.703 178.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -122.99 52.85 0.75 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.297 -175.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 19' ' ' HIS . 2.7 p -100.09 -155.49 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.774 -0.213 . . . . 0.0 110.512 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 18' ' ' SER . 41.6 m80 76.46 -38.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.607 0.763 . . . . 0.0 111.909 178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.1 ttt -73.79 81.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.165 0.507 . . . . 0.0 110.592 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.03 17.11 0.66 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.366 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.6 t -89.34 0.16 57.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.53 -177.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -121.41 118.56 29.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.138 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -64.91 101.94 0.41 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.444 2.096 . . . . 0.0 112.173 177.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -130.48 -49.03 1.07 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.791 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -99.66 -83.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.781 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -118.0 109.05 41.52 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' O ' ' HD2' ' A' ' 31' ' ' PRO . 34.8 Cg_endo -93.68 140.77 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.378 2.718 . . . . 0.0 112.739 178.107 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -76.62 -17.7 59.03 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 111.24 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.552 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.0 m-85 -61.5 -56.68 31.02 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 113.253 0.834 . . . . 0.0 113.253 -175.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.552 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 84.3 Cg_endo -79.53 21.41 0.78 Allowed 'Trans proline' 0 C--N 1.355 0.875 0 C-N-CA 122.135 1.89 . . . . 0.0 113.937 -172.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.578 ' OE2' ' HD2' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -86.7 40.65 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.607 0.718 . . . . 0.0 109.764 -179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.0 t-160 -95.75 0.88 52.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.597 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -87.96 -19.53 27.12 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -166.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 104' ' ' ARG . 11.7 m-30 -67.5 -30.43 70.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 118.249 0.477 . . . . 0.0 110.715 -176.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.26 8.16 31.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.402 -178.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.56 -33.71 47.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.861 0.362 . . . . 0.0 111.065 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -80.54 109.98 15.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -153.73 -179.63 7.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.871 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.6 tp60 68.53 103.85 0.05 Allowed 'General case' 0 N--CA 1.462 0.149 0 O-C-N 124.119 0.887 . . . . 0.0 110.47 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.37 130.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.399 0.618 . . . . 0.0 111.527 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -113.96 -164.89 15.45 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.149 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.26 3.99 Favored Glycine 0 N--CA 1.443 -0.886 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.129 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.25 101.24 1.23 Allowed Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 163' ' ' PRO . 50.6 t -82.92 106.42 13.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.9 mt -93.43 106.13 17.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 176.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.64 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 3.9 t-20 -128.7 133.88 48.31 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.395 -173.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.604 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -178.06 -163.9 30.41 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.534 -1.317 . . . . 0.0 113.194 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -129.58 155.53 45.65 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.316 -0.442 . . . . 0.0 110.648 -174.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.649 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 23.4 tp -117.53 130.12 56.22 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.676 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.414 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 38.4 p90 -167.99 129.08 1.4 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 174.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 169' ' ' THR . 91.7 mt -119.75 125.6 49.01 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.41 179.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.533 HG23 HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -82.34 123.79 29.41 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 121.096 0.475 . . . . 0.0 110.61 174.506 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.611 ' HB2' ' OE2' ' A' ' 148' ' ' GLU . 13.5 p -80.59 164.22 23.07 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.194 177.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.0 -20.51 65.02 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.615 0.721 . . . . 0.0 109.268 174.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.5 m -74.03 -7.32 52.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.008 -0.996 . . . . 0.0 110.832 175.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 83.01 24.18 53.23 Favored Glycine 0 C--N 1.334 0.465 0 C-N-CA 121.041 -0.6 . . . . 0.0 113.096 175.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.84 136.39 53.15 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.667 0.27 . . . . 0.0 110.649 178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 53' ' ' THR . 97.5 mt -89.66 119.23 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.359 179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' O ' ' HA ' ' A' ' 51' ' ' TYR . 16.0 mm100 -100.65 108.95 20.97 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.845 174.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.649 ' HD3' ' O ' ' A' ' 50' ' ' LEU . 17.9 mmtt -69.67 -16.68 63.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.743 -179.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 77.33 94.48 0.22 Allowed Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.263 -0.97 . . . . 0.0 111.838 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 m -107.14 132.29 53.19 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 -178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 64.12 26.64 13.96 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.141 0.496 . . . . 0.0 110.816 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -91.71 138.19 31.76 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.301 -177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.481 ' HA ' ' O ' ' A' ' 111' ' ' ALA . 5.2 mptp? -86.82 115.68 24.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.96 0.409 . . . . 0.0 111.222 -178.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.668 ' O ' ' HA ' ' A' ' 110' ' ' GLU . 86.1 t -93.75 105.25 16.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.823 175.203 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -96.45 108.45 21.01 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HA ' ' O ' ' A' ' 130' ' ' TYR . 10.2 tt -104.63 112.68 25.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.194 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.552 ' HB3' HG22 ' A' ' 108' ' ' VAL . 14.0 pt-20 -129.76 162.74 51.55 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.486 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -64.64 135.44 45.35 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 123.1 2.534 . . . . 0.0 113.613 -174.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.74 100.68 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.012 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 77.9 p -109.45 171.15 7.61 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.019 -175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.581 ' O ' ' HG2' ' A' ' 77' ' ' LYS . 7.8 t -71.06 -30.54 66.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.291 0.567 . . . . 0.0 109.6 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -68.9 -40.12 79.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.543 173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 0.0 OUTLIER -74.46 -32.8 62.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.756 -175.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 74' ' ' SER . 64.1 pttt -62.9 -26.68 68.91 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.645 0.26 . . . . 0.0 111.424 -176.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.91 -45.26 67.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.15 0.5 . . . . 0.0 110.109 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -66.76 -40.05 88.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.393 176.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.632 ' HE1' ' HB ' ' A' ' 153' ' ' THR . 72.1 t80 -61.08 -33.42 73.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.457 -178.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.58 -38.57 91.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.017 0.437 . . . . 0.0 110.927 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.836 ' HA ' ' HE2' ' A' ' 82' ' ' LYS . 7.8 mmpt? -85.0 -53.53 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.385 -179.013 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -131.08 80.85 1.96 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.139 0.495 . . . . 0.0 110.676 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -122.81 -69.13 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -111.51 106.61 15.54 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 171.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.568 HD21 ' HA ' ' A' ' 91' ' ' ARG . 3.0 tt -134.8 121.49 20.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.946 -173.074 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.534 ' HB2' ' HG2' ' A' ' 90' ' ' LYS . 5.4 m-20 -57.42 144.14 37.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.375 176.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.44 -25.85 67.49 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.173 0.511 . . . . 0.0 110.311 176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -67.35 -41.8 84.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.415 178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 4.9 pttm -94.95 27.68 3.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.032 0.444 . . . . 0.0 110.958 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.568 ' HA ' HD21 ' A' ' 86' ' ' LEU . 8.1 tpt180 -72.31 107.5 4.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.719 175.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.39 118.98 71.07 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.831 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -86.75 -2.3 8.23 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 122.864 2.376 . . . . 0.0 113.146 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.05 -49.97 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.066 0.46 . . . . 0.0 109.945 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 48.7 t -92.98 97.08 6.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.749 -0.659 . . . . 0.0 109.762 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -88.37 146.9 38.78 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.408 -177.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.447 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 54.2 Cg_exo -52.4 132.18 43.56 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 123.06 2.507 . . . . 0.0 112.426 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 32.4 Cg_exo -58.36 142.92 98.01 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 123.139 2.559 . . . . 0.0 112.676 -178.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 56.9 t -71.63 115.45 11.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.262 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD12 ' NH1' ' A' ' 104' ' ' ARG . 87.6 mt -97.2 167.62 10.93 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.633 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.574 ' OD1' ' HG3' ' A' ' 103' ' ' ARG . 12.5 t70 -72.15 140.52 82.93 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.999 -176.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -58.71 -10.92 10.35 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.542 2.828 . . . . 0.0 114.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.578 ' HD2' ' OE2' ' A' ' 32' ' ' GLU . 78.3 mtt180 -49.95 -48.51 51.93 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.819 0.342 . . . . 0.0 111.258 176.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.712 ' O ' HG23 ' A' ' 108' ' ' VAL . 6.6 ptm180 -58.67 -39.54 80.95 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.532 -177.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.41 -30.91 67.22 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.921 0.391 . . . . 0.0 111.317 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 m -76.09 -39.06 56.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.6 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 69.4 m-85 -84.83 -9.76 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.713 -177.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 104' ' ' ARG . 42.9 t -69.95 118.95 15.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.021 0.439 . . . . 0.0 110.558 177.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.4 mtt85 -91.45 99.26 12.24 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 171.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.668 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 0.5 OUTLIER -107.0 147.78 29.49 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.272 0.558 . . . . 0.0 110.962 -178.06 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 66' ' ' LYS . . . -139.68 152.97 47.13 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.598 -176.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 13.7 m -96.94 115.89 28.23 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 174.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 37.0 p -56.59 141.39 43.39 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.157 0.503 . . . . 0.0 112.011 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.41 168.53 8.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.575 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -36.37 64.92 Favored 'General case' 0 C--N 1.308 -1.212 0 CA-C-N 114.272 -1.331 . . . . 0.0 110.363 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -95.35 19.91 10.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.541 -175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.511 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 56.86 60.48 8.94 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 113.196 175.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -137.32 150.47 47.77 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 50.2 p90 -134.38 135.42 42.64 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.145 0.497 . . . . 0.0 110.71 176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -124.81 108.99 12.52 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -117.06 143.53 45.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.818 0.342 . . . . 0.0 111.673 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.467 ' O ' ' HB2' ' A' ' 123' ' ' HIS . 7.8 p-10 -159.26 -174.44 4.7 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 173.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 122' ' ' ASP . 64.2 m-70 70.4 30.72 3.2 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 122.791 0.436 . . . . 0.0 110.416 -173.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 69.8 mt -121.17 127.42 26.18 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 122.399 -0.188 . . . . 0.0 111.123 -170.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.65 149.26 79.09 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.458 2.105 . . . . 0.0 111.256 174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 3.2 p-10 -68.75 150.62 47.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.935 0.398 . . . . 0.0 110.896 -177.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 155.08 -172.32 33.38 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.683 -178.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.5 p -94.24 128.01 40.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.654 0.264 . . . . 0.0 110.783 178.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -131.09 158.84 39.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.976 0.417 . . . . 0.0 111.188 -178.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.437 ' O ' ' HA ' ' A' ' 69' ' ' LEU . 26.3 m-85 -111.27 128.9 56.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.043 174.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.416 HG23 HG13 ' A' ' 67' ' ' VAL . 52.9 mt -101.84 104.68 16.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 172.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -105.48 127.06 52.8 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.139 0.495 . . . . 0.0 110.348 -177.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.1 p -147.76 120.9 8.88 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.914 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.561 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 37.7 tt0 -90.1 91.24 8.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.846 178.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.405 HD23 HD12 ' A' ' 52' ' ' LEU . 48.5 tp -105.56 100.83 10.39 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.28 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 7.6 t -134.18 144.66 48.62 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.987 -177.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 44.9 p90 -147.52 142.92 27.42 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.704 -177.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.1 m -84.38 111.87 19.83 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.176 177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -116.35 140.55 49.21 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.563 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -91.63 116.41 28.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 66.2 p -72.61 -82.99 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.277 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -115.87 14.26 16.2 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.763 0.792 . . . . 0.0 108.911 174.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 140.32 -25.98 2.59 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 114.784 -1.098 . . . . 0.0 110.853 -175.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 40.9 mttp -85.14 131.09 34.49 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 7.0 m -93.6 110.69 22.28 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.033 0.444 . . . . 0.0 110.293 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 22.7 pt -109.88 140.23 29.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.606 -178.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 7.9 m -81.47 95.47 7.09 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.92 177.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.611 ' OE2' ' HB2' ' A' ' 54' ' ' SER . 4.4 mt-10 -84.26 164.74 18.86 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.526 -177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 80.02 -149.36 31.05 Favored Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 120.594 -0.812 . . . . 0.0 111.777 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 147.89 -164.73 28.87 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.037 178.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.561 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 2.2 m -85.23 102.62 13.48 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.2 p -111.25 119.66 60.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.523 0.678 . . . . 0.0 111.109 -177.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.632 ' HB ' ' HE1' ' A' ' 80' ' ' TYR . 17.0 m -114.91 123.55 49.43 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.515 175.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.2 tttm -109.41 135.34 50.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.748 0.309 . . . . 0.0 110.433 -176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 61.9 tp -80.26 124.03 28.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.016 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 63.5 t -119.72 127.52 75.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.97 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 19.0 m -112.01 107.88 17.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.403 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 40.3 t -104.76 98.06 6.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.5 t -101.1 6.75 43.4 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.89 0.376 . . . . 0.0 110.8 -175.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -141.77 157.88 26.45 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.471 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 1.7 m -87.83 35.35 0.73 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.046 0.45 . . . . 0.0 110.356 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -119.12 154.08 53.33 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.061 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.513 ' HA ' ' O ' ' A' ' 45' ' ' VAL . 34.1 Cg_exo -60.25 110.06 0.73 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.743 2.295 . . . . 0.0 112.692 178.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -96.96 127.2 42.7 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.437 176.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.64 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 12.0 tptt -84.51 121.56 27.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.835 0.35 . . . . 0.0 110.075 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.604 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 52.7 t -119.22 114.17 43.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.124 0.488 . . . . 0.0 110.882 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 6.7 mp -94.13 112.29 24.1 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 22.0 tp -85.09 95.92 9.27 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.373 0.606 . . . . 0.0 110.1 -176.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.425 ' HA ' HD23 ' A' ' 52' ' ' LEU . 9.6 t -155.26 169.64 23.72 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.727 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.964 -0.541 . . . . 0.0 110.133 178.459 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.585 0 N-CA-C 112.104 -0.398 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -78.96 98.13 6.31 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.495 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 p -93.4 153.41 18.53 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -62.19 122.77 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.982 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -82.29 -25.6 33.86 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.511 -174.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -78.66 -31.2 46.65 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.364 -176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.1 m170 57.75 -101.5 0.13 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 -174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -149.07 -31.64 0.23 Allowed 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 167.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -145.48 96.68 2.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.577 172.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.2 p -87.29 -75.67 0.39 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.117 177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.7 m -94.03 -65.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.25 0.547 . . . . 0.0 109.895 177.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.15 -127.2 2.2 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.999 -0.619 . . . . 0.0 111.597 -178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 mp -121.53 102.09 8.03 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 45.0 t -114.79 89.96 20.77 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 175.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -83.87 -19.05 5.12 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 123.167 2.578 . . . . 0.0 112.631 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -93.29 104.26 16.45 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.241 0.544 . . . . 0.0 110.392 -177.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -178.87 89.87 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.744 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.6 p -72.13 -65.28 0.79 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.835 0.35 . . . . 0.0 111.775 -174.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -149.31 140.45 23.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.821 0.343 . . . . 0.0 110.784 -176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 55.5 ttm -80.13 91.91 5.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.222 0.534 . . . . 0.0 110.409 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.44 52.95 0.85 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.474 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.1 m -56.95 -49.77 74.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.65 179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -139.4 100.28 7.69 Favored Pre-proline 0 C--N 1.325 -0.465 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -92.16 22.25 0.66 Allowed 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 122.991 2.46 . . . . 0.0 112.693 -178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -94.41 -79.29 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.646 -179.516 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 46.6 49.76 13.48 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 123.601 0.563 . . . . 0.0 110.771 -175.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD11 ' HG2' ' A' ' 98' ' ' PRO . 91.1 mt 69.02 90.72 0.08 OUTLIER Pre-proline 0 N--CA 1.464 0.231 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.421 -173.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.09 148.37 62.81 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.837 2.358 . . . . 0.0 111.882 -177.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -78.08 105.21 9.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.147 0.499 . . . . 0.0 111.692 -175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.542 ' H ' ' HE1' ' A' ' 75' ' ' TYR . 66.2 m-85 -127.37 149.51 70.06 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.438 173.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -85.76 -169.91 0.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.624 2.216 . . . . 0.0 112.413 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -79.58 3.67 18.21 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.563 -179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -63.38 -41.01 98.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.225 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -68.98 -37.54 78.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.742 177.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -70.54 -32.81 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.219 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.85 -2.33 57.63 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.04 -4.88 58.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.531 -178.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 37.6 p -79.09 74.54 5.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.339 0.59 . . . . 0.0 110.777 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -121.93 108.28 13.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.133 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.547 ' HB3' ' HB3' ' A' ' 125' ' ' PRO . 0.0 OUTLIER -162.65 98.86 1.0 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.075 -177.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.3 t -74.31 102.64 2.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.023 176.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -131.42 146.1 17.61 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.514 -176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -100.4 44.06 1.66 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.808 -0.711 . . . . 0.0 111.786 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.22 104.94 1.36 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.539 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.24 105.95 14.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 177.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.771 HD11 HG21 ' A' ' 158' ' ' VAL . 50.5 mt -106.25 119.82 56.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.043 0.449 . . . . 0.0 110.958 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.455 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -103.96 117.45 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.522 -0.763 . . . . 0.0 108.994 175.037 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.412 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -115.18 123.01 5.8 Favored Glycine 0 N--CA 1.445 -0.767 0 C-N-CA 120.414 -0.898 . . . . 0.0 113.049 -174.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.525 ' HB2' HD13 ' A' ' 167' ' ' LEU . 3.1 m-20 -110.56 112.16 23.88 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 176.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 25.2 tp -95.07 132.47 39.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.857 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.462 ' HE1' HD12 ' A' ' 167' ' ' LEU . 21.2 p90 -161.74 127.28 3.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.828 170.318 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -111.46 132.39 54.51 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.599 -178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.11 117.31 22.79 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.361 174.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.437 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 5.0 m -64.28 154.63 34.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.782 177.15 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.07 -25.59 67.87 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.415 0.626 . . . . 0.0 109.822 179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.5 m -73.68 -19.33 60.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.895 176.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.95 47.06 2.14 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.631 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -124.72 149.09 47.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 177.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 73.2 mt -103.12 108.86 25.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 120.978 0.418 . . . . 0.0 110.613 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -105.95 117.03 32.98 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 33.0 mmtp -66.93 -72.15 0.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.921 -178.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.45 97.45 0.18 Allowed Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.136 -1.03 . . . . 0.0 112.663 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 14.7 p -105.82 135.91 46.39 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.12 31.37 19.88 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.143 0.497 . . . . 0.0 110.713 -178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 134' ' ' GLU . 36.6 m -88.84 132.99 34.41 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.61 -174.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 133' ' ' SER . 5.9 tppt? -85.35 114.18 22.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.285 177.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.5 t -103.27 112.1 35.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 173.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -99.31 121.99 41.85 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.365 178.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 HD13 HG12 ' A' ' 131' ' ' ILE . 67.9 tp -117.06 114.46 23.77 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.43 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.609 ' HB3' HG22 ' A' ' 108' ' ' VAL . 17.1 pt-20 -142.08 154.07 64.36 Favored Pre-proline 0 C--N 1.327 -0.383 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.834 178.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -69.3 140.07 43.46 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.791 2.327 . . . . 0.0 112.96 -178.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.6 89.48 5.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.575 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.1 p -94.22 162.8 13.71 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.639 178.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 m -60.79 -23.19 64.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.096 0.474 . . . . 0.0 111.357 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.542 ' HE1' ' H ' ' A' ' 30' ' ' PHE . 8.8 t80 -72.38 -20.09 61.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.573 -178.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 87.9 mmm -93.24 6.66 47.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.014 -175.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -55.71 -58.36 8.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -175.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.36 -16.95 50.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.834 0.35 . . . . 0.0 111.327 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -68.8 -45.49 71.11 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -72.04 -34.15 68.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.462 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.7 -37.2 85.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.666 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -84.99 -25.08 27.95 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -126.95 -91.43 0.51 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.049 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.98 -117.6 11.86 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.842 -0.694 . . . . 0.0 111.953 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 153' ' ' THR . 3.2 p30 -92.72 114.12 26.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.428 0.632 . . . . 0.0 110.635 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.539 HD21 ' HA ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -142.19 132.82 25.39 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.598 -179.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -79.85 175.18 10.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.277 0.56 . . . . 0.0 111.588 -178.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.538 ' HA ' ' HB2' ' A' ' 91' ' ' ARG . . . -90.94 4.7 51.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.864 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -92.16 -41.72 10.3 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 178.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -98.68 23.42 8.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.598 173.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.539 ' HA ' HD21 ' A' ' 86' ' ' LEU . 23.2 tpp180 -66.32 105.99 1.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.714 175.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -91.27 119.0 68.82 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.084 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -78.17 1.72 8.68 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 122.777 2.318 . . . . 0.0 113.354 -177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -102.81 -39.05 7.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.737 0.304 . . . . 0.0 110.866 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 39.2 t -73.07 99.07 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.142 0.496 . . . . 0.0 109.909 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.482 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.9 pt20 -103.4 139.71 20.37 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.237 -174.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 17.2 Cg_exo -67.55 136.5 39.66 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.077 2.518 . . . . 0.0 112.204 178.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.46 ' HG2' HD11 ' A' ' 27' ' ' LEU . 7.9 Cg_exo -71.83 144.54 43.79 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 122.77 2.313 . . . . 0.0 112.24 179.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 25.0 t -90.12 104.79 15.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 109.419 -0.585 . . . . 0.0 109.419 178.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.5 -165.06 1.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.012 -175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.624 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 27.3 t70 -60.04 137.19 90.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.424 -177.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.81 -11.87 16.35 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.572 2.848 . . . . 0.0 114.428 -176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.624 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 1.7 mpp_? -60.76 -27.15 67.75 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 122.176 -0.328 . . . . 0.0 110.832 178.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.496 ' O ' HG23 ' A' ' 108' ' ' VAL . 73.3 mtp180 -57.3 -39.72 76.33 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.552 176.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.22 -23.74 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.955 0.407 . . . . 0.0 111.377 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 27.8 m -87.52 -34.69 18.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.921 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -88.72 -29.91 19.49 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -175.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.609 HG22 ' HB3' ' A' ' 70' ' ' GLU . 97.8 t -68.4 102.73 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 CA-C-O 120.756 0.312 . . . . 0.0 111.006 -179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -77.97 118.88 20.69 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.85 116.27 32.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.297 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.559 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -113.26 132.69 55.44 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.198 179.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 36.3 m -96.06 112.06 23.9 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 171.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 22.1 p -55.43 149.72 12.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.812 -175.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.56 -170.31 1.0 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.192 0.52 . . . . 0.0 110.15 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -70.36 -18.06 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.667 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -89.89 0.85 56.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.559 -178.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.466 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 68.49 31.0 73.29 Favored Glycine 0 C--O 1.224 -0.517 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -113.81 148.89 35.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.593 -0.304 . . . . 0.0 110.444 -174.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.412 ' CZ ' ' HA3' ' A' ' 48' ' ' GLY . 45.7 p90 -137.97 150.09 46.72 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 175.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -135.79 133.83 38.31 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.908 -174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.559 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 66.6 m-85 -134.89 147.49 49.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 178.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -134.41 163.87 28.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 175.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 53.94 80.76 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 O-C-N 123.701 0.626 . . . . 0.0 110.94 -177.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.554 HD11 ' HB3' ' A' ' 121' ' ' PHE . 64.6 mt -129.37 130.1 23.3 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.247 -176.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.592 ' HB2' ' OH ' ' A' ' 129' ' ' TYR . 31.6 Cg_exo -59.74 147.16 93.34 Favored 'Trans proline' 0 N--CA 1.462 -0.361 0 C-N-CA 122.582 2.188 . . . . 0.0 111.245 173.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.64 129.92 36.01 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.855 0.36 . . . . 0.0 110.906 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 164.09 -168.94 38.78 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.524 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 157' ' ' THR . 29.4 m -89.35 126.71 35.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.859 0.361 . . . . 0.0 110.488 178.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 125' ' ' PRO . 70.3 m-85 -129.22 153.15 48.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.043 0.449 . . . . 0.0 111.198 -177.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -104.2 120.76 41.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.152 175.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.544 HG12 HD13 ' A' ' 69' ' ' LEU . 80.0 mt -103.7 106.6 20.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 26.7 m -113.59 119.25 36.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.156 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.551 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 28.1 p -111.74 133.79 53.74 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.891 0.377 . . . . 0.0 111.474 -178.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.496 ' HG2' HG22 ' A' ' 151' ' ' THR . 42.8 mt-10 -90.09 91.39 8.53 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.192 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 59.7 tp -126.85 98.15 5.25 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.734 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . 0.407 ' HB ' ' HA2' ' A' ' 150' ' ' GLY . 6.3 t -132.07 139.03 48.38 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.861 179.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.494 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.0 p90 -139.09 156.05 47.45 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.94 -173.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 19.0 p -101.7 111.42 23.66 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.178 0.513 . . . . 0.0 109.811 174.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.97 141.71 46.5 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.103 -177.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -102.68 102.43 12.62 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.938 0.399 . . . . 0.0 110.3 -176.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 22.7 t -79.67 86.05 5.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.368 177.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 27.2 t0 49.64 54.4 11.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.18 -0.918 . . . . 0.0 111.522 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 99.29 -14.04 61.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.569 -0.824 . . . . 0.0 113.209 176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -101.3 107.15 18.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 117.013 0.407 . . . . 0.0 110.239 177.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 8.1 m -83.48 109.79 17.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.153 0.501 . . . . 0.0 110.687 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 29.1 pt -114.65 165.39 9.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.727 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.2 m -115.44 101.49 8.95 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.034 0.445 . . . . 0.0 110.194 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.494 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.1 mt-10 -92.61 176.59 6.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.04 -179.085 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 77.68 -152.31 38.93 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.784 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.407 ' HA2' ' HB ' ' A' ' 136' ' ' THR . . . 140.04 -129.95 4.47 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.73 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.496 HG22 ' HG2' ' A' ' 134' ' ' GLU . 3.1 p -116.09 105.69 12.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.667 0.27 . . . . 0.0 110.301 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.0 p -107.7 135.95 44.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.424 . . . . 0.0 110.5 -178.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.493 ' H ' ' HB3' ' A' ' 85' ' ' ASN . 26.2 m -115.76 128.06 55.57 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.627 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 169' ' ' THR . 16.3 tppt? -109.61 125.73 52.88 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 60.3 tp -80.67 110.63 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.108 179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.81 122.96 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.879 -177.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.424 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 90.7 m -109.37 109.14 19.93 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.771 HG21 HD11 ' A' ' 46' ' ' ILE . 37.3 t -90.91 106.23 17.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.181 -178.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 m -113.51 24.03 12.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.879 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -156.45 141.77 8.23 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.711 -0.757 . . . . 0.0 111.882 179.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.491 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 15.7 p -83.36 -3.4 57.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.092 0.473 . . . . 0.0 110.786 178.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.473 ' HB3' ' HD2' ' A' ' 163' ' ' PRO . 75.6 mt-30 -67.87 159.91 76.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.473 ' HD2' ' HB3' ' A' ' 162' ' ' GLN . 17.4 Cg_endo -59.32 115.27 2.47 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.652 2.235 . . . . 0.0 112.174 -178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -95.29 136.21 35.93 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.546 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 60.0 tptt -109.05 102.26 11.25 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.401 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.6 t -111.65 111.58 36.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 49' ' ' ASP . 4.5 mm? -84.6 107.24 16.71 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 173.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.498 ' HG ' HD13 ' A' ' 50' ' ' LEU . 30.5 tp -80.26 116.71 20.49 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.165 0.507 . . . . 0.0 109.652 -178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.45 ' O ' ' HE2' ' A' ' 154' ' ' LYS . 14.7 t -177.49 -171.33 0.32 Allowed 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -176.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.072 -0.966 . . . . 0.0 109.092 177.581 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.83 -0.508 . . . . 0.0 111.83 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -89.15 -42.48 11.66 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.117 0.484 . . . . 0.0 110.395 -179.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 p -83.12 112.8 20.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.461 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.8 m80 -106.19 -97.89 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.671 -178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.532 ' C ' ' H ' ' A' ' 7' ' ' HIS . 36.4 m80 -138.96 143.44 38.57 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 176.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.7 t-80 71.48 -25.93 0.17 Allowed 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.474 0.709 . . . . 0.0 110.447 -174.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.532 ' H ' ' C ' ' A' ' 5' ' ' HIS . 14.6 m-70 -106.31 79.59 1.4 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 171.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.1 p-80 -78.58 -24.3 45.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.443 -173.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -133.78 115.99 15.19 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 177.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -73.85 -29.97 62.41 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.544 -177.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -86.71 102.51 14.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.34 177.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -125.98 141.35 12.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.591 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 mp -80.0 -77.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.727 0.264 . . . . 0.0 110.597 -178.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.8 m -141.62 90.26 8.86 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.471 0.653 . . . . 0.0 111.691 -178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -85.79 -6.89 8.61 Favored 'Trans proline' 0 N--CA 1.461 -0.396 0 C-N-CA 122.64 2.227 . . . . 0.0 112.624 178.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -96.2 -18.51 20.02 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 -176.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.15 105.25 0.33 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.715 -0.755 . . . . 0.0 111.289 -175.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 m -71.13 -26.6 63.08 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -174.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -132.35 143.19 49.68 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.32 -178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mtp -55.65 142.88 32.24 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.791 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.04 -50.58 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.087 178.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.2 p -77.18 96.29 4.48 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.362 179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -146.34 103.57 4.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.305 175.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -79.22 -11.25 14.77 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 123.074 2.516 . . . . 0.0 112.209 178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -87.3 95.57 10.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.718 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -93.22 -40.35 10.5 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.789 172.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.572 HD23 ' HB3' ' A' ' 78' ' ' ALA . 61.0 mt -80.02 112.7 32.27 Favored Pre-proline 0 C--N 1.326 -0.451 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.44 178.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -79.12 143.79 18.09 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 122.464 2.109 . . . . 0.0 111.763 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -75.73 93.51 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.409 0.624 . . . . 0.0 110.992 -178.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -130.71 132.53 24.0 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.215 173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -68.52 -167.09 0.17 Allowed 'Trans proline' 0 CA--C 1.53 0.301 0 C-N-CA 122.616 2.211 . . . . 0.0 113.564 -175.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.07 12.22 6.72 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.216 -173.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.2 t60 -78.64 -25.34 45.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.753 -175.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.658 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 40.9 tt0 -75.18 -20.6 59.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 0.0 110.153 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -70.61 -17.43 62.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.003 176.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.76 4.13 14.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.49 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.58 -24.74 62.82 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.113 0.482 . . . . 0.0 110.611 176.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.7 t -119.24 161.11 20.95 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.121 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -155.66 -174.41 4.95 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.69 0.281 . . . . 0.0 110.641 -175.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.5 mp0 -83.55 -21.14 32.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.315 0.579 . . . . 0.0 109.79 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.0 t -77.53 103.21 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.373 -179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -178.73 174.05 46.27 Favored Glycine 0 N--CA 1.442 -0.945 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 179.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -147.31 21.26 1.54 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.465 -178.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' HA3' HG11 ' A' ' 158' ' ' VAL . . . -75.39 95.69 0.98 Allowed Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.783 177.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' HA ' ' O ' ' A' ' 121' ' ' PHE . 66.3 t -77.98 108.43 11.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.759 0.314 . . . . 0.0 110.25 179.124 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.566 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -93.44 120.0 42.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 178.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -102.48 109.38 20.99 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -110.05 128.46 8.88 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.964 -170.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.456 ' HA ' ' HG2' ' A' ' 118' ' ' ARG . 36.0 t70 -115.19 109.21 17.65 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 172.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.543 HD13 HD23 ' A' ' 168' ' ' LEU . 25.1 tp -98.74 130.56 45.21 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.535 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 50.4 p90 -162.24 131.86 4.52 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.814 171.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.457 HD21 HG11 ' A' ' 152' ' ' VAL . 80.1 mt -113.59 145.7 40.85 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.24 0.543 . . . . 0.0 110.483 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.2 p -94.7 131.86 40.06 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.487 -0.778 . . . . 0.0 111.287 -179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.8 m -76.22 -177.84 4.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.799 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -49.47 -50.01 43.04 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 t -85.15 10.12 13.08 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.968 0.413 . . . . 0.0 111.3 -177.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.27 12.07 71.14 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.849 177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.1 125.93 27.06 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.9 mt -91.49 118.37 36.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.077 0.465 . . . . 0.0 111.654 -173.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -111.96 128.27 56.11 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.971 -0.751 . . . . 0.0 108.971 174.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 52.8 mmtt -69.49 -80.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.299 0.481 . . . . 0.0 112.299 -175.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 160.25 94.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.638 -0.791 . . . . 0.0 111.565 -177.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.16 94.63 6.69 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.605 0.241 . . . . 0.0 111.298 -174.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.8 m120 56.34 67.18 1.03 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.484 0.659 . . . . 0.0 110.271 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.4 m -107.73 149.37 28.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.628 -174.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -87.26 111.56 21.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.026 0.441 . . . . 0.0 111.402 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 62.0 t -98.24 105.45 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.806 174.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -97.31 122.85 40.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.848 0.356 . . . . 0.0 110.638 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 108' ' ' VAL . 50.4 tp -105.28 99.03 8.65 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.645 178.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.578 ' HB3' HG22 ' A' ' 108' ' ' VAL . 5.0 pt-20 -110.23 145.77 32.84 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.776 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -69.56 138.65 38.97 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 123.001 2.467 . . . . 0.0 112.937 -175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.55 ' HB3' HG23 ' A' ' 128' ' ' THR . . . -72.21 94.83 1.6 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.249 0.547 . . . . 0.0 110.195 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.658 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 17.4 p -116.7 170.24 8.75 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.018 -174.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 25.3 m -83.68 -31.43 26.11 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 59.8 t80 -63.06 -45.23 93.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.415 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.8 mtp -92.8 6.33 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.767 -178.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.9 tttt -58.7 -42.25 88.17 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.007 0.432 . . . . 0.0 110.263 178.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.572 ' HB3' HD23 ' A' ' 27' ' ' LEU . . . -73.5 -26.78 61.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.067 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -68.06 -42.66 80.15 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.03 -0.729 . . . . 0.0 109.03 175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -65.69 -34.22 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.38 175.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -64.15 -54.75 28.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.328 179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' HB3' ' NZ ' ' A' ' 82' ' ' LYS . 6.9 mtpm? -67.08 -44.4 80.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.55 0.214 . . . . 0.0 111.468 178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 86' ' ' LEU . 96.8 m-85 -104.44 -96.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.617 -178.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 50.28 -119.02 6.59 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 121.428 -0.415 . . . . 0.0 112.545 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -81.23 95.26 6.89 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 173.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 83' ' ' PHE . 9.8 tt -117.59 111.03 18.65 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.823 -171.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' O ' HD23 ' A' ' 86' ' ' LEU . 15.8 t70 -68.89 159.48 32.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.715 175.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.97 -29.28 63.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.828 0.347 . . . . 0.0 111.355 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -85.32 -2.15 57.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.758 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.517 ' HE3' ' HA ' ' A' ' 86' ' ' LEU . 37.4 mtmt -103.94 4.91 35.2 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 122.446 -0.158 . . . . 0.0 111.037 178.095 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.491 ' HA ' HD21 ' A' ' 86' ' ' LEU . 2.8 ttp180 -65.15 108.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.724 0.297 . . . . 0.0 110.275 -176.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 23.9 t0 -65.14 117.02 35.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.327 -178.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 74.5 Cg_endo -94.41 7.08 2.38 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 123.082 2.521 . . . . 0.0 112.854 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -119.72 -43.62 2.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.853 0.359 . . . . 0.0 111.26 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.4 t -101.31 118.01 47.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.546 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.4 ' HB3' ' HD2' ' A' ' 97' ' ' PRO . 47.8 mt-30 -86.09 161.23 50.18 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.108 178.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.439 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 12.4 Cg_endo -57.38 115.38 2.46 Favored 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 122.343 2.029 . . . . 0.0 111.566 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.439 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 28.0 Cg_endo -62.06 138.87 75.59 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.891 2.394 . . . . 0.0 112.671 -176.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.2 t -74.87 105.78 4.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.725 176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' HD2' ' A' ' 104' ' ' ARG . 57.3 mt -93.19 -172.0 2.83 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.082 -178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -68.29 136.67 91.28 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 178.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -52.32 -20.9 12.24 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 123.56 2.84 . . . . 0.0 113.676 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.7 mtt85 -58.44 -27.51 64.42 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.556 ' HD2' ' HB2' ' A' ' 100' ' ' LEU . 3.8 ptm180 -65.29 -25.76 67.78 Favored 'General case' 0 C--O 1.217 -0.611 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.099 -178.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.75 -16.53 62.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.072 0.463 . . . . 0.0 110.606 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 32.9 m -98.91 -44.59 6.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.782 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -73.84 -32.5 63.71 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.429 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.578 HG22 ' HB3' ' A' ' 70' ' ' GLU . 50.2 t -82.96 100.63 6.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.338 0.59 . . . . 0.0 109.426 175.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtm180 -86.18 124.89 33.08 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.405 -177.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 35.0 mt-10 -102.07 133.21 47.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.458 -177.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.465 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -114.19 129.5 56.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.141 174.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 7.1 m -95.4 109.09 21.31 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 75.7 p -64.52 151.79 43.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.322 0.582 . . . . 0.0 111.712 -174.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -73.81 -173.19 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.143 173.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -68.37 -25.79 65.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.16 0.505 . . . . 0.0 110.011 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -86.1 10.12 15.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.001 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 60.52 36.23 90.86 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.127 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.456 ' HG2' ' HA ' ' A' ' 49' ' ' ASP . 78.2 mtt180 -119.4 167.52 11.84 Favored 'General case' 0 N--CA 1.437 -1.102 0 CA-C-N 117.391 0.596 . . . . 0.0 111.873 178.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -167.27 169.86 12.12 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.786 -173.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -147.13 152.99 39.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.346 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.566 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 49.8 m-85 -133.78 155.19 50.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 178.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -156.49 -174.48 4.96 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.553 173.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 26.0 m170 62.88 30.14 16.56 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 121.258 0.552 . . . . 0.0 110.658 -174.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.526 HD11 ' HB3' ' A' ' 121' ' ' PHE . 69.8 mt -109.5 122.1 40.43 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.716 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -73.69 158.8 46.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.439 2.093 . . . . 0.0 111.317 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 73.0 m-20 -61.1 137.76 58.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.475 -178.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 156.42 -174.91 34.19 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.035 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 72' ' ' ALA . 9.2 t -111.82 135.41 52.48 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.166 0.508 . . . . 0.0 111.257 -176.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -136.84 170.21 16.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.481 -176.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -111.32 128.7 56.03 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.013 174.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.549 ' O ' ' HA ' ' A' ' 153' ' ' THR . 35.7 mt -100.17 105.24 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 173.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.1 t -105.35 127.05 52.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.385 -177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.0 m -137.72 119.33 14.98 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.828 0.347 . . . . 0.0 110.311 177.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 44.5 tt0 -91.15 97.38 11.11 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.238 0.542 . . . . 0.0 110.015 178.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 64.5 tp -120.24 109.32 15.26 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.522 178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 9.2 t -137.82 142.64 40.81 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.046 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . . . . . . . . . 31.4 p90 -142.68 153.91 43.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.28 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 37.9 p -84.49 138.94 32.5 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.42 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -136.01 163.11 31.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.518 . . . . 0.0 110.777 176.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -104.66 115.87 31.07 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.322 -178.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.489 ' OG ' ' HG3' ' A' ' 144' ' ' LYS . 6.8 p -107.3 81.81 1.58 Allowed 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.692 -0.686 . . . . 0.0 109.962 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 32.4 t70 67.76 -84.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.689 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -117.38 -4.81 15.28 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.97 -0.633 . . . . 0.0 113.075 -177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.489 ' HG3' ' OG ' ' A' ' 141' ' ' SER . 22.1 pttm -125.65 148.77 48.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.507 -0.408 . . . . 0.0 111.33 -178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 23.9 m -97.24 118.17 33.08 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.852 176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.3 pt -109.55 170.53 3.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.044 0.45 . . . . 0.0 111.288 -177.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 20.6 m -102.73 108.84 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.226 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -92.46 150.73 20.61 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.472 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 93.39 -138.43 14.09 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.369 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.27 -161.11 26.02 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.776 179.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 13.0 m -96.04 102.76 14.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.457 HG11 HD21 ' A' ' 52' ' ' LEU . 7.6 p -95.43 127.23 47.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.057 0.456 . . . . 0.0 110.327 -178.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.549 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 35.8 m -132.12 117.98 19.02 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.928 179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -109.31 148.94 30.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.729 -176.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -84.88 111.26 19.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.125 -0.488 . . . . 0.0 109.904 177.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.537 HG21 HD12 ' A' ' 131' ' ' ILE . 84.1 t -121.02 119.27 58.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.177 0.513 . . . . 0.0 111.09 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.523 ' HA ' ' HA ' ' A' ' 128' ' ' THR . 45.7 m -106.19 120.82 42.81 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.328 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.473 HG13 ' HG3' ' A' ' 164' ' ' GLN . 57.9 t -79.69 114.81 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 39.7 m -80.81 -27.01 36.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.101 -173.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -173.12 -164.8 29.06 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.103 -1.046 . . . . 0.0 112.966 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 15.49 5.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.38 0.61 . . . . 0.0 110.396 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -91.97 165.56 19.93 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.442 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.82 110.78 1.54 Allowed 'Trans proline' 0 N--CA 1.459 -0.546 0 C-N-CA 122.4 2.067 . . . . 0.0 111.702 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.473 ' HG3' HG13 ' A' ' 158' ' ' VAL . 13.7 mm100 -95.25 97.28 9.76 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 178.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -86.69 113.49 22.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.962 0.411 . . . . 0.0 110.408 -179.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.5 122.95 71.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.663 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 67.3 mt -94.68 111.29 23.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.474 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.543 HD23 HD13 ' A' ' 50' ' ' LEU . 23.7 tp -87.92 95.41 10.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.306 0.574 . . . . 0.0 109.652 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 9.5 t -163.27 172.01 15.34 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.292 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 28.4 ttm-85 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.593 -0.718 . . . . 0.0 109.543 177.296 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -112.13 86.68 2.4 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.5 m -81.46 -3.03 51.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.891 -172.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -80.42 58.55 3.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.434 0.635 . . . . 0.0 110.205 174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -144.71 113.76 6.91 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.937 177.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -82.55 81.11 8.48 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.454 -173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 64.84 -78.24 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.062 0.851 . . . . 0.0 111.374 176.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -172.22 118.73 0.39 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -92.74 100.19 12.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.996 0.426 . . . . 0.0 110.959 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.1 p -124.4 163.51 21.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.78 175.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.8 p -105.02 111.94 24.89 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.168 0.509 . . . . 0.0 110.955 -179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -153.05 85.56 0.14 Allowed Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.415 -0.674 . . . . 0.0 111.415 178.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 mp -90.8 117.85 29.75 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.75 0.31 . . . . 0.0 110.78 -176.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 11.6 m -100.33 110.15 59.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.667 176.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.485 ' HD2' ' HA ' ' A' ' 14' ' ' VAL . 11.4 Cg_endo -55.94 -63.66 0.17 Allowed 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.971 2.447 . . . . 0.0 111.817 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.43 107.41 9.85 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 175.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 136.03 -13.95 4.09 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.369 -177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 78.6 p -149.87 -67.05 0.21 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.42 -0.512 . . . . 0.0 112.218 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 57.18 65.99 1.26 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -168.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.3 tpp -93.08 -74.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.861 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.91 144.58 50.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.968 0.413 . . . . 0.0 111.728 -173.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.0 m -80.51 140.71 35.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.405 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -127.49 133.86 25.55 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 177.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -56.12 119.36 6.48 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.659 2.24 . . . . 0.0 112.402 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -95.95 -2.73 46.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.276 0.56 . . . . 0.0 109.859 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -70.71 -49.34 48.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.413 -0.812 . . . . 0.0 108.858 174.149 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 98' ' ' PRO . 64.8 mt -134.3 126.36 18.35 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.018 168.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.45 ' HG3' ' HB3' ' A' ' 77' ' ' LYS . 19.6 Cg_endo -58.44 -33.36 97.85 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 123.229 2.62 . . . . 0.0 114.355 -167.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.484 ' OD1' ' HD2' ' A' ' 31' ' ' PRO . 10.2 t0 -164.36 166.49 20.68 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 -177.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.453 ' N ' ' HD2' ' A' ' 31' ' ' PRO . 87.1 t80 -85.52 -54.85 0.42 Allowed Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.484 ' HD2' ' OD1' ' A' ' 29' ' ' ASP . 9.5 Cg_endo -52.99 121.01 8.58 Favored 'Trans proline' 0 C--N 1.363 1.298 0 C-N-CA 122.168 1.912 . . . . 0.0 112.917 -178.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.544 ' HB2' ' CD2' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -116.95 24.19 11.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.664 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -61.75 -12.9 19.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.94 -174.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.0 -21.59 63.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.06 173.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' CD2' ' HB2' ' A' ' 32' ' ' GLU . 34.5 m-85 -63.76 -34.37 77.74 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.19 0.519 . . . . 0.0 110.601 173.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.42 2.48 28.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.579 -173.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -75.16 -30.03 60.62 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.243 0.544 . . . . 0.0 110.152 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.6 p -92.1 112.99 25.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.17 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -89.26 -174.43 4.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.72 174.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.1 tp60 -105.07 7.3 33.85 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.413 0.625 . . . . 0.0 110.317 -178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 60.9 t -90.64 117.34 33.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.881 175.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.634 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 176.7 165.17 31.82 Favored Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 111.456 -0.658 . . . . 0.0 111.456 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.93 20.43 7.65 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.12 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.97 109.36 2.85 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.709 -0.757 . . . . 0.0 111.952 177.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 75.7 t -97.85 116.34 40.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.6 mt -110.5 118.8 57.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.813 -177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -102.41 104.25 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 174.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.79 122.12 7.39 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.931 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -101.76 109.0 20.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 175.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 168' ' ' LEU . 35.5 tp -90.51 130.42 36.56 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.125 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB2' HG23 ' A' ' 59' ' ' ILE . 48.6 p90 -174.96 123.05 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.594 0.559 . . . . 0.0 110.164 172.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.441 HD22 ' HB3' ' A' ' 170' ' ' ARG . 60.7 mt -108.45 153.56 23.14 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.461 HG23 HD13 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -107.71 122.28 46.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.913 0.387 . . . . 0.0 111.629 -177.099 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.3 m -69.19 150.91 46.96 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 170.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.58 -23.06 66.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.837 0.351 . . . . 0.0 111.316 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 7.3 p -76.5 1.5 16.43 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.48 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.95 56.81 2.65 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.288 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -135.29 125.69 26.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.643 0.258 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.495 HG23 ' HB2' ' A' ' 51' ' ' TYR . 21.9 mm -79.05 105.74 8.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.008 173.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -92.13 109.54 20.91 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 172.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.557 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 5.1 mmtt -63.72 -71.71 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.925 -170.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.79 80.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.06 -1.067 . . . . 0.0 112.197 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 p -84.44 101.47 12.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.809 0.338 . . . . 0.0 111.346 -176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 43.3 m-80 62.87 47.83 4.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.175 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.1 m -95.51 134.19 38.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.139 -176.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -78.75 122.46 26.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.037 178.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.7 t -116.25 130.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.719 176.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -112.42 140.66 46.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.93 0.395 . . . . 0.0 111.078 -179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.3 tp -115.11 101.24 8.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.982 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.565 ' HA ' HG22 ' A' ' 108' ' ' VAL . 42.2 mt-10 -103.68 141.84 23.35 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.785 -176.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 15.3 Cg_exo -69.26 119.5 6.47 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.752 2.301 . . . . 0.0 111.89 177.357 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.6 104.41 8.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.762 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.3 t -159.19 -161.19 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.315 -178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 75' ' ' TYR . 22.9 t -73.35 -165.61 0.27 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.474 0.31 . . . . 0.0 110.311 179.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.41 ' HB3' ' O ' ' A' ' 74' ' ' SER . 73.9 t80 73.23 -53.41 0.7 Allowed 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 123.226 0.611 . . . . 0.0 111.279 179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 71.2 mtp -90.24 17.23 7.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 122.414 -0.179 . . . . 0.0 111.338 -178.04 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HB3' ' HG3' ' A' ' 28' ' ' PRO . 54.7 tttm -57.36 -46.28 83.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 111.146 -176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.25 -15.07 51.75 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.152 0.501 . . . . 0.0 110.874 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.557 ' CE1' ' HD2' ' A' ' 98' ' ' PRO . 42.5 t80 -71.24 -41.49 70.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.763 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -81.12 -5.84 58.14 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.919 178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.17 -37.75 23.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.246 0.546 . . . . 0.0 109.765 175.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.566 ' HZ2' ' HG3' ' A' ' 98' ' ' PRO . 98.5 mttt -71.87 -48.95 42.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.288 175.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -103.59 -86.16 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.893 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 61.13 -127.65 43.02 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -175.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -85.86 87.93 7.48 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 172.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.622 ' HG ' ' HB3' ' A' ' 90' ' ' LYS . 7.1 tt -102.46 105.0 15.49 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.657 -173.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -62.46 162.73 9.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.17 177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -18.78 65.34 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 122.23 -0.294 . . . . 0.0 111.337 179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.64 -18.96 59.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.251 0.548 . . . . 0.0 110.026 173.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.622 ' HB3' ' HG ' ' A' ' 86' ' ' LEU . 15.1 mmmt -94.01 6.55 48.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.162 177.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.8 tpp180 -73.64 85.07 1.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.842 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.526 ' HB3' HG23 ' A' ' 95' ' ' VAL . 33.2 t70 -114.3 134.46 22.25 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.097 -173.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 29.6 Cg_exo -62.73 -31.85 78.52 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.203 2.602 . . . . 0.0 113.578 -178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.17 -8.09 59.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.464 -176.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.526 HG23 ' HB3' ' A' ' 92' ' ' ASP . 42.6 t -81.13 77.33 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 170.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 48.7 mt-30 -83.12 131.47 53.51 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.958 -175.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 25.6 Cg_exo -62.94 120.55 8.08 Favored 'Trans proline' 0 N--CA 1.461 -0.425 0 C-N-CA 122.797 2.331 . . . . 0.0 111.145 174.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.566 ' HG3' ' HZ2' ' A' ' 82' ' ' LYS . 39.3 Cg_exo -60.71 157.36 37.87 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.847 2.365 . . . . 0.0 111.984 178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.16 91.81 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.061 0.457 . . . . 0.0 110.433 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 82.8 mt -86.34 158.07 19.74 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.167 177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -78.01 136.55 61.92 Favored Pre-proline 0 C--N 1.322 -0.619 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.307 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.82 -18.78 17.12 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.543 2.829 . . . . 0.0 113.87 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -57.67 -29.24 64.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 111.885 0.328 . . . . 0.0 111.885 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.507 ' O ' HG23 ' A' ' 108' ' ' VAL . 12.3 ptt180 -62.07 -36.78 82.71 Favored 'General case' 0 C--O 1.215 -0.755 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -74.17 -8.21 55.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.206 0.526 . . . . 0.0 111.041 -177.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 23.2 m -86.82 -39.4 15.91 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.898 175.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 95.3 m-85 -82.66 -40.76 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.41 177.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' A' ' 70' ' ' GLU . 94.2 t -69.02 121.34 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.6 mtt85 -102.88 146.53 28.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.78 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -110.92 143.75 41.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.699 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.632 ' HB2' ' CZ ' ' A' ' 121' ' ' PHE . . . -124.06 161.04 26.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.5 175.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 37.4 m -136.44 108.77 7.31 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.488 ' HB ' ' HA2' ' A' ' 117' ' ' GLY . 24.8 p -68.43 138.27 55.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 -177.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.84 -161.02 0.67 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -53.87 -32.31 52.7 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 122.877 0.471 . . . . 0.0 111.431 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -75.91 -14.68 60.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.479 -176.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.557 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 59.51 43.83 97.24 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.126 -0.559 . . . . 0.0 112.883 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -137.41 148.23 46.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.592 -0.358 . . . . 0.0 110.225 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -142.12 154.19 44.7 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.17 148.3 34.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.985 0.422 . . . . 0.0 110.845 -179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.632 ' CZ ' ' HB2' ' A' ' 111' ' ' ALA . 73.5 m-85 -136.94 153.41 50.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.67 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -142.43 173.84 11.16 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.789 176.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.634 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 13.9 m80 61.5 47.73 6.39 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.129 0.49 . . . . 0.0 111.436 -178.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.7 mt -120.89 131.07 24.58 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.859 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.77 158.43 56.27 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.293 1.995 . . . . 0.0 110.968 173.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 158' ' ' VAL . 25.4 p-10 -85.79 143.72 28.14 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.173 0.511 . . . . 0.0 111.112 -176.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 160.36 -158.74 30.16 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.799 -177.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 p -102.58 128.72 49.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.805 0.336 . . . . 0.0 111.212 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -132.39 149.98 52.24 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.85 0.357 . . . . 0.0 110.608 179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -105.29 120.1 40.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.152 176.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 153' ' ' THR . 46.0 mt -94.78 104.83 16.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 172.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 p -108.33 128.65 54.94 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.345 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.2 t -150.75 124.21 8.99 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.839 178.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.571 ' HA ' ' HA ' ' A' ' 151' ' ' THR . 6.8 pt-20 -98.35 91.36 5.17 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.894 0.854 . . . . 0.0 111.078 176.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 57.3 tp -101.14 99.22 9.61 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 114.42 -1.264 . . . . 0.0 108.329 174.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 8.4 t -120.94 138.17 54.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.012 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.467 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 48.5 p90 -133.91 151.33 51.47 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.704 -175.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 6.0 p -97.55 121.3 39.29 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.853 173.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.07 114.11 26.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.102 -179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 85.4 mt-30 -81.04 92.25 6.2 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.189 0.519 . . . . 0.0 109.912 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 34.0 m -100.75 108.27 20.06 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.369 -175.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 65.95 14.07 9.39 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.32 178.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 109.55 -15.97 31.86 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.774 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -92.41 109.82 21.22 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 17.0 m -81.42 99.38 8.69 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.303 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 31.9 pt -96.17 150.4 4.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.178 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 39.8 m -107.59 102.86 12.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.08 0.466 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.467 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 42.0 mt-10 -96.77 179.3 5.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.382 -177.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 78.77 -150.83 34.92 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.259 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.543 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 137.58 -162.33 25.45 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.671 -179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.571 ' HA ' ' HA ' ' A' ' 134' ' ' GLU . 19.9 m -86.74 102.48 14.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.8 0.333 . . . . 0.0 110.175 -179.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.7 p -93.46 133.94 32.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 28.5 m -125.74 117.36 23.28 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.251 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -109.69 127.79 54.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.431 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 63.7 tp -82.0 103.03 11.35 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.419 175.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.8 t -92.92 117.1 35.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.072 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 17.6 m -100.79 96.72 7.5 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.136 178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.404 ' O ' ' HB2' ' A' ' 126' ' ' ASN . 45.2 t -87.93 104.29 14.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 2.9 p -64.39 -35.38 80.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.26 -174.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.72 -160.08 13.38 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.022 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 70.2 m -81.5 60.29 4.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.821 0.819 . . . . 0.0 109.863 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -113.26 151.15 44.07 Favored Pre-proline 0 C--N 1.317 -0.811 0 CA-C-N 114.693 -1.139 . . . . 0.0 110.094 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.445 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 57.8 Cg_endo -76.51 91.4 1.14 Allowed 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.102 1.868 . . . . 0.0 111.344 172.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -97.68 132.77 43.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.593 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -99.19 118.1 35.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.594 177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . . . . . . . . . 43.4 t -109.03 126.53 66.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.175 -176.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 97.4 mt -92.32 100.43 13.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.388 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.49 HD23 HD13 ' A' ' 50' ' ' LEU . 48.8 tp -80.13 85.46 5.69 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 51' ' ' TYR . 12.5 t -137.14 161.09 37.08 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.758 -173.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.441 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.3 ttt180 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.366 -0.826 . . . . 0.0 109.219 178.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 112.059 -0.416 . . . . 0.0 112.059 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -72.17 -29.42 64.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.015 0.436 . . . . 0.0 110.858 -178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -129.31 167.15 18.14 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.791 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.1 m80 -90.25 99.32 12.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.093 0.473 . . . . 0.0 110.46 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -98.37 41.76 1.12 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -68.3 -36.01 78.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.454 -176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -150.52 -54.39 0.15 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.708 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -173.0 159.88 4.09 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.463 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -79.72 71.2 6.35 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 171.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.1 m -69.43 -43.84 72.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.964 -175.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.2 m -88.05 109.38 19.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.288 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.96 62.8 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.036 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 mp -85.53 145.44 27.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.86 0.362 . . . . 0.0 110.488 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.9 m -88.2 137.27 31.15 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -89.72 178.0 2.49 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 123.008 2.472 . . . . 0.0 112.349 177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -86.02 -37.83 18.52 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 177.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.03 -79.49 1.45 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.519 -0.764 . . . . 0.0 112.524 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.4 t -60.35 114.15 2.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.017 0.437 . . . . 0.0 111.477 -176.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -167.1 154.31 8.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.161 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.3 ptt? -122.71 178.4 5.03 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.08 105.23 2.37 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 m -70.83 -11.19 60.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.313 0.577 . . . . 0.0 110.801 -176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -119.11 101.55 49.69 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.833 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -78.21 -6.79 15.9 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.268 . . . . 0.0 111.84 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.646 ' ND2' ' HG ' ' A' ' 27' ' ' LEU . 6.1 t30 -95.33 160.74 14.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.096 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 50.7 m-20 -89.77 -99.59 0.1 Allowed 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.96 178.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.646 ' HG ' ' ND2' ' A' ' 25' ' ' ASN . 59.6 mt 70.36 122.75 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.415 0 O-C-N 123.854 0.721 . . . . 0.0 111.256 -175.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.512 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 26.3 Cg_exo -62.33 152.15 78.37 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.799 2.332 . . . . 0.0 112.701 -179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -101.84 -36.62 8.6 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.928 -177.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 96.1 m-85 -72.55 -53.16 6.01 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 113.247 0.832 . . . . 0.0 113.247 -175.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.577 ' HB2' ' HB2' ' A' ' 75' ' ' TYR . 7.8 Cg_exo -73.31 29.14 0.3 Allowed 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.92 2.413 . . . . 0.0 114.392 -171.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -76.52 -26.9 55.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.365 0.602 . . . . 0.0 110.107 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -76.49 -8.57 57.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.102 -175.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -68.66 -13.52 62.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.686 0.279 . . . . 0.0 111.599 -175.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -66.4 -21.31 66.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.95 0.405 . . . . 0.0 110.798 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -95.02 14.2 22.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.465 -176.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.08 17.12 14.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.171 0.51 . . . . 0.0 110.796 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 p -78.18 145.39 35.63 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.473 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -129.52 155.37 45.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.588 -177.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -82.13 -30.87 30.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.196 175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 49.7 t -82.13 117.75 28.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.823 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 179.08 112.64 0.35 Allowed Glycine 0 N--CA 1.446 -0.693 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -94.49 -4.73 62.18 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.19 -1.005 . . . . 0.0 113.09 -174.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.704 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -54.37 122.06 22.59 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.659 -0.305 . . . . 0.0 113.533 -174.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 92.0 t -109.66 127.79 66.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.916 0.388 . . . . 0.0 110.648 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.2 mt -110.08 123.78 66.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 174.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.658 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 18.4 t-20 -135.43 109.52 8.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 166' ' ' VAL . . . -151.84 171.81 31.24 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 119.149 -1.501 . . . . 0.0 114.3 -173.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.58 145.99 36.89 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.079 -0.56 . . . . 0.0 110.32 -178.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.418 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 26.3 tp -105.93 121.9 45.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.548 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 42.3 p90 -158.18 133.74 8.92 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.176 -0.61 . . . . 0.0 111.71 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.6 mt -121.96 162.19 21.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.857 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.1 p -95.05 123.78 38.73 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.672 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 18.0 m -76.61 162.4 27.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.073 -0.512 . . . . 0.0 109.747 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.72 66.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.905 0.383 . . . . 0.0 111.546 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 m -77.54 -1.29 29.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 82.38 30.77 32.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.222 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.65 143.55 30.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.13 106.91 14.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.802 175.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.8 tp-100 -99.86 112.24 24.51 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.549 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.57 ' HB3' ' HA3' ' A' ' 117' ' ' GLY . 23.9 mmtp -72.9 -65.14 0.83 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.319 0.387 . . . . 0.0 111.39 -178.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 103.81 122.62 5.12 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.525 -0.845 . . . . 0.0 111.895 -177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 115' ' ' GLN . 23.8 p -115.77 143.5 45.3 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 122.883 -0.186 . . . . 0.0 110.505 -177.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HA ' ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER 61.19 22.5 12.82 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.752 0.787 . . . . 0.0 109.414 -179.557 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.7 m -85.15 134.64 34.16 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.563 -178.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -85.67 104.63 15.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.06 0.457 . . . . 0.0 111.231 -174.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 82.7 t -85.67 107.5 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.389 174.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.79 115.6 28.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.9 0.381 . . . . 0.0 111.219 -176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 109' ' ' ARG . 48.1 tp -93.2 107.97 19.67 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.668 176.073 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' HG2' HG22 ' A' ' 108' ' ' VAL . 33.1 mt-10 -113.56 145.05 32.55 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.661 -175.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.2 116.15 4.47 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.619 2.212 . . . . 0.0 112.278 179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 129' ' ' TYR . . . -85.66 123.91 31.59 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.767 HG23 ' H ' ' A' ' 75' ' ' TYR . 13.9 t -156.12 -168.79 2.85 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -174.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HA ' ' HE2' ' A' ' 77' ' ' LYS . 57.3 m -74.81 -11.88 60.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.893 0.377 . . . . 0.0 111.486 -178.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.767 ' H ' HG23 ' A' ' 73' ' ' THR . 38.8 t80 -91.54 173.83 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 172.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 91.2 mmm 73.33 5.15 5.0 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.892 0.477 . . . . 0.0 112.036 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 74' ' ' SER . 73.5 mmtt -51.96 -70.72 0.08 Allowed 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -176.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.481 ' O ' ' HG3' ' A' ' 82' ' ' LYS . . . -58.02 -28.7 64.7 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.02 -177.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -62.37 -52.81 62.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.74 -178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -70.79 -28.21 64.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.875 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -24.12 63.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.404 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 78' ' ' ALA . 43.3 mtpt -82.71 -31.53 28.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.777 -0.192 . . . . 0.0 111.515 -179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -115.99 -82.99 0.63 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.576 0.227 . . . . 0.0 110.907 -179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 64.8 -115.76 8.18 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.181 -178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.581 ' HA ' ' O ' ' A' ' 151' ' ' THR . 96.1 m-20 -100.99 91.0 4.37 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 110.331 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 87' ' ' ASP . 0.4 OUTLIER -102.36 137.62 40.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.907 -178.795 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.474 ' OD2' ' HB3' ' A' ' 89' ' ' ALA . 0.6 OUTLIER -76.47 132.86 39.85 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.212 173.69 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.34 67.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.158 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' OD2' ' A' ' 87' ' ' ASP . . . -67.56 -23.4 65.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.839 0.352 . . . . 0.0 110.871 -177.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.4 pttm -116.64 39.92 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.067 0.461 . . . . 0.0 111.054 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -59.66 119.61 7.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.34 172.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -89.5 117.73 68.43 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.835 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -86.18 -1.63 8.59 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.797 2.331 . . . . 0.0 112.82 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -104.22 -43.03 5.34 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.866 0.365 . . . . 0.0 110.348 -177.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.6 t -77.62 100.55 3.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.606 178.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -92.48 144.54 28.97 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.049 176.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.402 ' HA ' ' HD2' ' A' ' 98' ' ' PRO . 29.8 Cg_exo -62.61 117.66 4.55 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.541 2.161 . . . . 0.0 111.322 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 97' ' ' PRO . 23.0 Cg_endo -61.64 132.02 38.4 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.68 2.253 . . . . 0.0 112.431 -175.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 40.5 t -83.98 89.22 2.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 177.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 101' ' ' ASP . 0.5 OUTLIER -81.7 -23.92 36.5 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.553 -177.024 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.426 ' N ' HD12 ' A' ' 100' ' ' LEU . 10.2 t70 -164.58 126.13 1.47 Allowed Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 177.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -73.5 -17.52 23.59 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.897 2.398 . . . . 0.0 113.427 -176.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.5 mtt85 -71.66 -9.9 58.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.09 0.471 . . . . 0.0 110.764 -176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 35.3 mtp85 -57.24 -30.15 64.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.8 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.89 -17.51 64.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 0.0 111.422 179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.2 m -103.9 -28.17 11.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.021 179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -88.66 -21.31 24.01 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.456 HG22 ' HG2' ' A' ' 70' ' ' GLU . 74.1 t -82.6 115.73 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.128 0.489 . . . . 0.0 110.171 177.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.422 ' HB3' ' HB3' ' A' ' 69' ' ' LEU . 69.3 ttt180 -88.19 122.76 32.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.679 -178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -102.08 130.79 48.75 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.031 0.443 . . . . 0.0 111.52 -174.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.467 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -116.39 113.14 22.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.926 172.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.441 ' CG2' ' HA ' ' A' ' 64' ' ' ASN . 94.7 m -82.23 113.83 20.31 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.643 176.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 33.7 p -61.32 128.91 38.67 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.0 111.52 -176.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 115' ' ' GLN . 33.9 t70 -73.59 -177.42 2.69 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.97 178.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' H ' ' CG ' ' A' ' 114' ' ' ASP . 62.0 tt0 -57.42 -29.76 64.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.773 -179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -82.29 -0.33 45.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.416 179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 66.99 41.79 93.01 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.318 -179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 48' ' ' GLY . 45.3 ttm180 -124.95 145.4 49.88 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 -177.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -128.4 148.55 50.71 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.76 178.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -145.77 142.84 29.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.379 0.609 . . . . 0.0 111.629 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.611 ' CB ' HD11 ' A' ' 124' ' ' ILE . 51.7 m-85 -135.19 114.0 11.89 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.893 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -96.11 148.55 22.57 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 110.008 -0.367 . . . . 0.0 110.008 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 58.81 86.34 0.09 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.185 0.993 . . . . 0.0 111.428 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.611 HD11 ' CB ' ' A' ' 121' ' ' PHE . 67.6 mt -129.29 133.7 25.45 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.656 -1.157 . . . . 0.0 109.329 175.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.13 129.13 31.53 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.126 1.884 . . . . 0.0 110.972 172.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -59.6 129.03 39.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.983 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 169.55 -164.55 38.04 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.089 -177.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.7 m -107.48 132.03 53.67 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.639 0.257 . . . . 0.0 110.401 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.433 ' HA ' ' H ' ' A' ' 72' ' ' ALA . 94.4 m-85 -133.76 154.66 50.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.202 0.525 . . . . 0.0 111.651 -176.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD23 ' A' ' 155' ' ' LEU . 35.5 m-85 -102.3 141.48 35.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.499 -0.773 . . . . 0.0 108.944 171.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.466 HD12 HG21 ' A' ' 156' ' ' VAL . 48.2 mt -116.25 108.73 25.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 171.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.2 m -103.14 119.02 38.09 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.04 -178.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.8 p -137.65 126.26 23.68 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.964 0.411 . . . . 0.0 110.704 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.481 ' HB3' HG22 ' A' ' 151' ' ' THR . 13.8 pt-20 -103.38 102.57 12.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.51 0.672 . . . . 0.0 110.536 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.2 tp -111.73 118.83 36.7 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.194 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.2 p -124.92 139.08 54.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 178.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -138.91 137.29 36.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.803 -179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.534 ' HA ' ' HA ' ' A' ' 147' ' ' THR . 9.8 m -94.34 109.1 20.97 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.198 177.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.93 145.57 42.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.646 -178.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . 0.423 ' HA ' ' HA ' ' A' ' 145' ' ' THR . 90.0 mt-30 -82.52 105.41 13.55 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.12 0.486 . . . . 0.0 110.52 179.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 36.3 t -103.88 105.34 15.51 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.825 -179.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 63.33 16.33 9.39 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.658 173.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 127.42 -33.86 3.19 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.648 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -96.52 130.59 43.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.92 0.39 . . . . 0.0 111.165 -177.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 140' ' ' GLN . 12.6 m -84.26 96.5 9.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.973 0.416 . . . . 0.0 109.885 177.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 41.2 pt -101.75 144.17 13.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.671 -175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 138' ' ' SER . 34.0 m -94.01 101.97 14.04 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.028 0.442 . . . . 0.0 110.438 178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.401 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 43.5 mt-10 -83.62 178.34 8.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.547 178.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 111.54 -152.09 17.71 Favored Glycine 0 N--CA 1.439 -1.163 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.775 173.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 141.35 -161.76 26.9 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -178.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.581 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 41.5 p -93.24 113.19 25.33 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.939 0.37 . . . . 0.0 110.57 179.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.7 p -102.43 108.17 23.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.728 0.775 . . . . 0.0 109.247 173.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 10.9 m -105.7 110.48 22.8 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.975 -1.012 . . . . 0.0 109.507 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 44.7 tttp -112.51 137.26 50.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.422 HD23 ' CE1' ' A' ' 130' ' ' TYR . 3.2 tm? -81.79 121.45 26.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.395 178.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.466 HG21 HD12 ' A' ' 131' ' ' ILE . 92.1 t -127.05 121.71 58.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.141 0.496 . . . . 0.0 110.316 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 9.3 t -103.75 133.83 48.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.2 t -106.91 96.22 4.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.2 m -99.88 -7.91 24.72 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.146 -177.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -137.46 147.88 19.49 Favored Glycine 0 N--CA 1.446 -0.638 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.427 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.704 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 23.2 m -75.26 -30.14 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.203 0.525 . . . . 0.0 110.304 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -68.3 151.25 97.35 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.204 178.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -57.59 125.47 18.85 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 123.022 2.482 . . . . 0.0 113.869 -171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.49 114.84 26.54 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.804 172.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.658 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 62.7 tttp -80.56 115.95 20.34 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 175.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.469 ' O ' ' HA3' ' A' ' 48' ' ' GLY . 60.2 t -124.1 114.81 42.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.977 0.418 . . . . 0.0 111.539 -174.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.408 ' HB3' ' HE1' ' A' ' 51' ' ' TYR . 69.9 mt -83.29 105.5 14.29 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 171.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 4.3 tt -81.1 93.62 6.46 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.826 0.822 . . . . 0.0 109.654 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . . . . . . . . . 14.8 t -155.19 123.4 5.88 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.085 -1.416 . . . . 0.0 108.2 177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 170' ' ' ARG . 8.5 mmm180 . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.553 -0.737 . . . . 0.0 111.365 -178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.924 -0.47 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 m -93.42 148.91 21.64 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.68 0.276 . . . . 0.0 110.329 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 m -90.76 19.91 5.13 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.973 0.416 . . . . 0.0 110.987 -178.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.0 m80 -127.01 135.59 51.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.812 177.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -85.5 139.48 31.45 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.076 -175.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -68.8 125.61 27.13 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 172.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 10' ' ' SER . 33.4 m170 -59.67 117.59 5.13 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.724 -174.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -88.95 -48.87 7.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.091 -174.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -103.65 59.17 0.74 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.357 0.598 . . . . 0.0 109.844 178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.56 ' HB3' ' HB3' ' A' ' 7' ' ' HIS . 24.2 t -157.76 106.89 2.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.232 -0.895 . . . . 0.0 109.208 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 20.3 m -99.51 102.78 14.42 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.169 -176.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -124.38 59.55 0.63 Allowed Glycine 0 N--CA 1.449 -0.494 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 176.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 80.4 mt -92.42 159.03 15.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.632 0.253 . . . . 0.0 110.523 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.48 78.04 63.74 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 121.184 0.516 . . . . 0.0 111.805 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -93.35 165.44 2.4 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 123.223 2.615 . . . . 0.0 111.574 174.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.1 mtm180 -83.44 51.52 2.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.207 0.527 . . . . 0.0 110.975 178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.95 13.55 64.9 Favored Glycine 0 N--CA 1.45 -0.403 0 CA-C-N 115.503 -0.772 . . . . 0.0 111.378 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 m -63.74 97.43 0.15 Allowed 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.166 0.508 . . . . 0.0 110.153 177.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 25.6 p-80 -87.18 63.03 7.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.516 0.674 . . . . 0.0 110.538 -176.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.3 tpt -146.8 130.44 16.92 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.335 179.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.02 121.12 13.37 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.417 177.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.5 t -69.21 -38.26 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.342 0.591 . . . . 0.0 109.723 179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 24' ' ' PRO . 9.5 t30 -149.0 100.89 3.41 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.828 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 23' ' ' ASN . 9.9 Cg_endo -52.59 -44.14 49.72 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.749 2.966 . . . . 0.0 113.85 -171.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -104.79 82.87 1.94 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.025 0.44 . . . . 0.0 110.201 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -82.65 -39.92 21.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.146 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.5 mt -113.96 128.35 25.86 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.774 176.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.37 173.19 14.18 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.57 2.18 . . . . 0.0 112.171 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -60.12 146.98 41.2 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.821 178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -72.02 116.13 45.39 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.996 -176.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.55 ' HG2' ' HB2' ' A' ' 75' ' ' TYR . 32.3 Cg_exo -59.08 -42.31 52.43 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.51 2.14 . . . . 0.0 111.252 176.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 63.56 -73.79 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.669 174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -59.11 -21.07 58.69 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -175.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.676 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 41.9 tt0 -62.65 -33.87 75.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.805 0.336 . . . . 0.0 110.383 177.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -64.85 -44.36 90.01 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.203 176.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.46 -7.42 55.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.454 -175.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -86.0 2.69 45.36 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.6 p -96.48 155.83 16.6 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.551 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.524 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 16.2 mm100 -86.03 152.38 22.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.641 HE21 ' HA ' ' A' ' 40' ' ' GLN . 0.1 OUTLIER -97.28 -42.69 7.67 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.152 0.501 . . . . 0.0 110.149 -178.637 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.15 120.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.73 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.445 ' HA3' ' N ' ' A' ' 125' ' ' PRO . . . -129.53 -164.84 11.54 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.865 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -116.52 -4.07 17.96 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.269 178.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -69.36 121.11 10.91 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.087 -0.577 . . . . 0.0 112.81 -178.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -103.73 116.97 48.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.584 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 61.2 mt -109.99 110.84 33.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.034 0.445 . . . . 0.0 110.306 -177.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.584 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 15.6 m120 -102.71 104.88 15.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 177.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.505 ' HA3' ' CZ ' ' A' ' 119' ' ' PHE . . . -103.98 141.37 15.24 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 119.969 -1.11 . . . . 0.0 113.461 -171.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -116.71 109.57 17.33 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.548 ' HA ' ' HB3' ' A' ' 168' ' ' LEU . 25.7 tp -88.41 127.92 35.51 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.475 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 9.9 p90 -168.79 110.13 0.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.657 0.741 . . . . 0.0 110.114 173.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD12 HD23 ' A' ' 135' ' ' LEU . 90.1 mt -99.41 115.25 28.82 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.277 177.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.8 m -81.64 125.48 30.62 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.92 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.435 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 19.7 m -68.66 162.37 26.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 175.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.3 -14.52 40.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.066 0.46 . . . . 0.0 111.111 179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 m -80.2 -11.81 59.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.256 177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.52 8.69 62.25 Favored Glycine 0 C--N 1.334 0.418 0 C-N-CA 120.243 -0.98 . . . . 0.0 112.331 -178.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.39 133.96 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 177.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.2 mt -95.79 112.1 27.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 0.0 111.651 -174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -97.46 112.44 24.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.812 175.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.495 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 39.5 mmtt -78.11 -3.29 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -173.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.65 85.02 0.14 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.463 -0.875 . . . . 0.0 112.151 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.502 HG22 ' HA ' ' A' ' 115' ' ' GLN . 34.3 p -94.53 125.15 38.99 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 122.909 -0.171 . . . . 0.0 110.67 -175.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 64.0 t30 62.58 35.88 14.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.799 0.809 . . . . 0.0 109.608 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 18.6 m -95.83 137.42 34.92 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.613 -175.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -92.21 118.01 30.44 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.589 -176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.6 t -113.52 127.44 70.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.668 -177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -105.24 121.65 44.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.813 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.2 tt -103.51 113.92 27.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 173.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' HG2' HG22 ' A' ' 108' ' ' VAL . 39.4 mt-10 -115.34 146.94 37.54 Favored Pre-proline 0 C--N 1.321 -0.672 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.954 -174.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.97 128.06 12.78 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.47 2.113 . . . . 0.0 112.14 177.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.14 105.77 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.059 0.457 . . . . 0.0 110.854 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.676 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 56.5 p -103.09 -173.6 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.38 178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.3 m -78.52 -21.27 49.11 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.364 0.602 . . . . 0.0 109.538 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.55 ' HB2' ' HG2' ' A' ' 31' ' ' PRO . 19.9 t80 -81.84 -30.85 31.93 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.329 179.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 76' ' ' MET . 1.5 mmt -80.29 58.83 3.2 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.312 0.577 . . . . 0.0 111.288 -178.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -123.71 -67.42 0.93 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.103 175.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.2 78.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.781 -176.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -61.43 -46.53 89.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.882 0.372 . . . . 0.0 110.589 -179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.517 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 20.5 m-85 -85.1 1.09 49.38 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.63 -28.12 28.67 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.941 -0.763 . . . . 0.0 108.941 169.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -85.16 -62.2 1.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.818 -1.083 . . . . 0.0 110.48 178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -91.65 -1.1 57.58 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.735 -174.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' HA3' ' O ' ' A' ' 80' ' ' TYR . . . -70.56 119.23 8.27 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.699 -0.763 . . . . 0.0 111.87 -179.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.628 ' HA ' ' O ' ' A' ' 151' ' ' THR . 31.5 m-80 52.39 59.48 4.48 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.329 0.585 . . . . 0.0 111.025 -176.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 9.4 tt -102.58 112.83 25.75 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.544 0.687 . . . . 0.0 109.748 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.7 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 13.7 t70 -65.82 158.01 28.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.877 -1.056 . . . . 0.0 110.561 -179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.93 -26.84 66.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.702 0.287 . . . . 0.0 111.256 177.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.87 -11.64 60.0 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.7 ' HD3' ' H ' ' A' ' 87' ' ' ASP . 28.3 mtpp -96.88 13.12 29.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.909 0.385 . . . . 0.0 110.557 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 91' ' ' ARG . 9.9 mmt180 -80.57 93.53 6.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.026 -178.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -82.65 131.16 55.76 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.831 177.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.78 -15.99 48.87 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 122.995 2.463 . . . . 0.0 113.753 -175.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -97.39 -22.6 16.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.971 0.415 . . . . 0.0 110.909 -178.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 64.5 t -75.51 97.18 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.139 0.495 . . . . 0.0 109.936 176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 64.4 mt-30 -97.13 137.69 21.24 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.16 -177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 5.9 Cg_exo -73.03 116.45 4.72 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.69 2.26 . . . . 0.0 112.106 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -74.56 146.0 34.03 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.852 2.368 . . . . 0.0 112.259 179.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 53.9 t -77.63 121.65 30.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 73.5 mt -94.54 -169.33 2.01 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.835 0.35 . . . . 0.0 111.124 -176.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -65.59 150.82 95.62 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.702 -177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.52 -11.17 18.84 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.909 2.406 . . . . 0.0 112.765 179.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -39.59 90.28 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 178.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 108' ' ' VAL . 51.9 mtp85 -48.53 -49.46 36.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.151 -0.932 . . . . 0.0 111.354 174.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -55.3 -30.4 60.09 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.2 m -79.6 -42.19 25.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.684 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -95.06 -16.28 22.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -170.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 104' ' ' ARG . 69.4 t -73.6 121.93 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.004 0.431 . . . . 0.0 110.086 176.235 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -95.94 120.72 36.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.331 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -101.71 128.73 47.9 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.49 -177.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -123.98 144.68 49.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.809 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 5.8 m -108.67 111.39 23.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 119' ' ' PHE . 36.0 p -67.4 135.41 53.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.33 0.586 . . . . 0.0 112.193 -172.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.732 ' HB2' ' HB2' ' A' ' 118' ' ' ARG . 8.7 m-20 -66.84 170.99 5.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.464 176.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.502 ' HA ' HG22 ' A' ' 63' ' ' THR . 48.6 tt0 -70.76 -18.4 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.346 0.593 . . . . 0.0 110.56 -178.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -92.27 15.65 13.27 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.109 178.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.0 45.43 83.08 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.616 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.732 ' HB2' ' HB2' ' A' ' 114' ' ' ASP . 1.6 mmp_? -111.6 133.25 53.99 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.738 -0.231 . . . . 0.0 111.438 -175.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.511 ' HB3' HG22 ' A' ' 113' ' ' THR . 50.2 p90 -145.33 126.19 14.42 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 167.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -119.42 115.03 23.25 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.458 -168.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.584 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 60.9 m-85 -113.26 142.35 45.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.861 176.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.04 148.69 30.97 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.999 -173.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.74 63.6 1.46 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 121.527 0.68 . . . . 0.0 111.526 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 121' ' ' PHE . 59.0 mt -122.15 127.09 26.06 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.516 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 39' ' ' GLN . 37.3 Cg_exo -62.56 160.14 33.41 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 122.83 2.353 . . . . 0.0 112.545 -178.34 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 158' ' ' VAL . 5.8 m-20 -69.99 136.7 50.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.731 179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.3 -172.7 34.76 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.292 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -97.62 134.09 41.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.824 0.345 . . . . 0.0 110.909 178.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -134.74 156.78 48.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.514 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -113.66 117.7 32.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.377 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.462 HD12 HG21 ' A' ' 156' ' ' VAL . 56.5 mt -97.42 107.37 19.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 173.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 152' ' ' VAL . 10.4 t -124.13 125.71 44.94 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.965 0.412 . . . . 0.0 110.327 -176.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.2 p -137.49 134.29 35.59 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.34 178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -93.17 109.21 20.71 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.914 0.388 . . . . 0.0 110.077 178.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.517 HD23 HD12 ' A' ' 52' ' ' LEU . 55.2 tp -132.53 111.09 10.95 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.711 178.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 21.1 p -116.51 146.28 42.71 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.636 179.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.495 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 38.5 p90 -146.38 175.16 10.75 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.597 ' HB2' HG22 ' A' ' 145' ' ' THR . 78.0 p -123.73 125.44 44.75 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.12 137.05 52.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.917 0.389 . . . . 0.0 110.516 -177.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -80.84 129.27 34.44 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.035 0.445 . . . . 0.0 110.395 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.3 m -124.74 71.35 1.16 Allowed 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 175.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 38.1 t70 58.23 81.39 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 114.882 -1.053 . . . . 0.0 111.036 -175.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.21 -45.15 3.44 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.943 -0.646 . . . . 0.0 113.128 176.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -89.53 123.24 33.45 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.999 0.4 . . . . 0.0 110.962 -177.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.597 HG22 ' HB2' ' A' ' 138' ' ' SER . 2.8 m -99.36 96.79 7.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.952 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 40.9 pt -85.94 155.77 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.174 -175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 4.7 m -94.09 123.88 37.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.847 -178.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.495 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 45.1 mt-10 -116.18 167.99 10.51 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 92.79 -161.01 25.59 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.606 176.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 139.46 -144.19 14.89 Favored Glycine 0 N--CA 1.444 -0.822 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . 0.628 ' O ' ' HA ' ' A' ' 85' ' ' ASN . 12.7 p -90.43 102.64 15.37 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 117.016 0.408 . . . . 0.0 110.394 177.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 132' ' ' SER . 7.2 p -91.53 121.37 41.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.142 0.496 . . . . 0.0 109.719 177.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 21.0 m -116.96 120.86 39.71 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.606 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -113.33 123.91 51.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.529 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 67.1 tp -84.15 106.48 15.81 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HD12 ' A' ' 131' ' ' ILE . 61.6 t -105.55 120.05 55.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.718 -176.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 22.3 m -99.31 102.49 14.12 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.162 177.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.513 HG21 HD11 ' A' ' 46' ' ' ILE . 41.3 t -83.99 93.36 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 12.9 p -108.06 23.39 14.56 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.422 -175.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -166.88 158.53 31.54 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.272 -178.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.411 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 3.8 p -97.64 10.91 38.73 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.327 0.584 . . . . 0.0 110.93 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 164' ' ' GLN . 50.8 mt-30 -81.91 153.66 69.96 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.697 174.266 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -61.88 111.65 1.27 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.451 2.101 . . . . 0.0 111.296 174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 162' ' ' GLN . 61.2 mt-30 -105.73 120.46 41.74 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.849 -178.489 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.584 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 79.9 tttt -83.19 113.43 20.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.12 0.486 . . . . 0.0 110.302 177.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.461 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 77.1 t -108.96 117.27 53.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.456 178.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 167' ' ' LEU . 5.4 mp -90.86 115.68 28.1 Favored 'General case' 0 C--N 1.314 -0.957 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.548 ' HB3' ' HA ' ' A' ' 50' ' ' LEU . 17.2 tp -80.81 85.07 6.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.815 0.817 . . . . 0.0 110.023 -175.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.439 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 10.3 t -152.27 160.18 43.39 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 113.875 -1.511 . . . . 0.0 107.626 174.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.876 -0.583 . . . . 0.0 110.696 -174.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.819 0 N-CA-C 112.049 -0.421 . . . . 0.0 112.049 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.9 m -148.45 158.76 44.32 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.756 0.312 . . . . 0.0 110.584 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -122.48 154.39 37.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.293 -0.412 . . . . 0.0 109.902 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -146.66 121.17 9.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.08 0.466 . . . . 0.0 111.267 179.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -126.0 100.13 6.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.906 0.384 . . . . 0.0 110.087 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -108.34 98.77 8.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.633 -178.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 84.0 t60 60.66 91.69 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.482 -0.781 . . . . 0.0 112.223 175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.9 m170 -113.84 163.69 14.73 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 172.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -77.71 44.12 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.092 0.472 . . . . 0.0 111.325 -173.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.6 t -99.13 -9.8 23.34 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.105 0.479 . . . . 0.0 109.769 178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.4 p -83.86 -44.36 14.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.562 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.58 -121.25 14.5 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.002 -0.618 . . . . 0.0 111.785 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.588 HD12 HG13 ' A' ' 14' ' ' VAL . 2.1 pp -107.02 7.95 30.1 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.818 0.342 . . . . 0.0 111.411 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.588 HG13 HD12 ' A' ' 13' ' ' LEU . 3.3 m -130.85 75.35 78.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.205 0.526 . . . . 0.0 111.552 178.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -86.56 -2.71 8.41 Favored 'Trans proline' 0 N--CA 1.461 -0.416 0 C-N-CA 122.701 2.267 . . . . 0.0 112.811 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -113.08 36.48 3.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 111.685 -177.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.01 -74.14 1.88 Allowed Glycine 0 N--CA 1.453 -0.194 0 CA-C-N 115.914 -0.584 . . . . 0.0 113.247 174.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.6 m -51.47 135.41 27.65 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 123.03 0.532 . . . . 0.0 111.389 -176.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -76.35 -41.51 48.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.338 0.59 . . . . 0.0 110.004 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.2 ptp -146.11 135.94 23.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.603 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -81.02 89.25 5.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.149 0.499 . . . . 0.0 111.318 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.0 p -115.33 -76.04 0.58 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.449 172.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' HA ' ' HD3' ' A' ' 24' ' ' PRO . 21.1 m-20 -157.02 135.81 7.83 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 173.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 23' ' ' ASN . 6.3 Cg_exo -75.1 21.63 0.44 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 123.475 2.783 . . . . 0.0 113.898 -172.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -89.95 103.68 16.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.603 0.716 . . . . 0.0 110.529 177.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -98.74 -48.42 4.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.739 176.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mp -134.66 149.86 71.97 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.248 -0.887 . . . . 0.0 108.865 172.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -68.93 -175.28 0.91 Allowed 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.634 2.223 . . . . 0.0 112.992 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.655 ' O ' ' HD3' ' A' ' 31' ' ' PRO . 30.6 t70 -51.8 137.61 25.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.599 177.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' TYR . 12.5 p90 -97.38 106.52 32.91 Favored Pre-proline 0 C--N 1.328 -0.337 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -172.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.677 ' HD2' ' HB2' ' A' ' 75' ' ' TYR . 51.6 Cg_endo -100.72 114.02 0.06 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.351 0 C-N-CA 123.623 2.882 . . . . 0.0 111.761 170.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -77.25 12.89 1.3 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.01 0.433 . . . . 0.0 110.858 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -57.8 -62.87 1.49 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.049 176.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB2' HG22 ' A' ' 73' ' ' THR . 28.3 mt-10 -65.37 -21.15 66.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.067 -173.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -73.87 -19.17 60.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.593 0.235 . . . . 0.0 111.35 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -101.38 -4.72 26.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.888 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -70.48 -15.02 62.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.584 -176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.543 ' O ' ' HG2' ' A' ' 125' ' ' PRO . 4.8 p -78.5 -24.74 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.525 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 58.2 -98.91 0.09 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.296 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.426 ' HG2' ' HE1' ' A' ' 123' ' ' HIS . 47.2 tt0 -179.52 -52.52 0.01 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 121.192 0.52 . . . . 0.0 110.522 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.42 ' O ' ' HG3' ' A' ' 125' ' ' PRO . 7.2 p -63.22 134.63 28.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.349 -176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . 179.41 158.47 21.72 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.849 -178.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -122.02 7.55 10.03 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.496 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -70.16 117.75 7.56 Favored Glycine 0 N--CA 1.446 -0.633 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.121 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 60.3 t -107.08 122.17 60.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.553 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 66.0 mt -107.04 121.43 59.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.88 0.372 . . . . 0.0 110.479 -178.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -105.49 101.95 11.45 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.466 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -108.96 132.42 11.08 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.314 -0.946 . . . . 0.0 113.227 -173.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -120.85 114.24 21.3 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' O ' ' HD3' ' A' ' 61' ' ' LYS . 57.9 tp -94.47 128.33 40.98 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.252 -171.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.545 ' HB3' ' HD3' ' A' ' 61' ' ' LYS . 24.3 p90 -166.38 115.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.357 0.599 . . . . 0.0 110.532 173.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 HD23 ' HA ' ' A' ' 169' ' ' THR . 90.0 mt -99.36 133.07 44.2 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.045 -179.219 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.408 HG22 HG12 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -81.06 107.13 13.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.667 -178.525 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.504 ' HB3' ' OE1' ' A' ' 148' ' ' GLU . 0.8 OUTLIER -65.08 163.34 15.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.392 176.475 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.37 -25.49 66.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.25 0.547 . . . . 0.0 109.901 178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -82.13 -5.5 58.49 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.333 177.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.52 19.75 77.96 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.162 -0.542 . . . . 0.0 112.979 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.07 -29.86 63.26 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.617 0.229 . . . . 0.0 111.617 -177.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.408 HG12 HG22 ' A' ' 53' ' ' THR . 90.2 mt 61.75 99.48 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.437 0.637 . . . . 0.0 111.385 -178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -97.84 127.62 43.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.186 178.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' A' ' 51' ' ' TYR . 57.5 mmtt -74.29 -71.3 0.34 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.371 -178.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.4 93.52 0.37 Allowed Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.541 -0.837 . . . . 0.0 111.783 -177.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.81 115.8 28.45 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.578 0.228 . . . . 0.0 110.961 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 62.56 33.66 15.73 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.282 0.563 . . . . 0.0 110.664 179.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.5 m -91.27 145.17 24.87 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.158 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -96.29 121.52 38.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.512 . . . . 0.0 111.391 -176.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.9 t -102.83 119.57 51.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.429 172.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -102.37 138.7 38.95 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.848 0.356 . . . . 0.0 111.175 -177.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.412 HD11 ' HB3' ' A' ' 129' ' ' TYR . 58.6 tp -111.29 104.64 13.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.838 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 130' ' ' TYR . 21.6 mm-40 -97.7 144.75 28.53 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.536 -176.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' A' ' 70' ' ' GLU . 6.0 Cg_exo -78.6 129.79 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.463 0 C-N-CA 123.056 2.504 . . . . 0.0 111.506 175.041 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . . . -67.81 107.59 2.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.126 -179.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 34' ' ' GLU . 71.7 p -126.75 154.92 43.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.914 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.552 ' O ' ' HB2' ' A' ' 77' ' ' LYS . 29.4 m -75.85 -23.73 55.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.429 0.633 . . . . 0.0 109.62 176.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.677 ' HB2' ' HD2' ' A' ' 31' ' ' PRO . 27.4 t80 -61.1 -38.02 84.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.732 174.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.574 ' HG2' ' HB3' ' A' ' 79' ' ' TYR . 9.9 ttt -87.18 24.55 1.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.828 -176.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.552 ' HB2' ' O ' ' A' ' 74' ' ' SER . 31.5 tptt -58.88 -58.37 8.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.094 -176.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.8 -27.28 67.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.779 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.574 ' HB3' ' HG2' ' A' ' 76' ' ' MET . 20.1 t80 -69.03 -37.87 78.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -76.2 -26.41 56.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.227 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -74.35 -51.85 13.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.551 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.411 ' HE2' ' HB3' ' A' ' 82' ' ' LYS . 20.4 mtpt -81.73 -36.44 28.6 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -177.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -104.58 -96.44 0.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.388 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 51.73 -116.88 5.28 Favored Glycine 0 C--N 1.332 0.359 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.224 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.609 HD22 ' H ' ' A' ' 85' ' ' ASN . 0.1 OUTLIER -91.75 84.21 5.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.273 1.035 . . . . 0.0 110.055 175.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.823 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 3.0 tt -104.33 113.68 27.4 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.288 -174.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -66.76 148.38 52.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.32 -0.854 . . . . 0.0 108.966 172.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.72 -18.8 64.39 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.928 0.394 . . . . 0.0 110.769 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.44 -17.02 56.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.672 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' A' ' 86' ' ' LEU . 5.3 pttm -120.38 29.38 7.49 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.343 0.592 . . . . 0.0 110.384 177.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' HA ' HD21 ' A' ' 86' ' ' LEU . 14.2 tpt180 -69.52 106.42 2.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.683 178.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -56.94 115.2 9.67 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.956 173.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -86.89 19.66 1.35 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.763 2.309 . . . . 0.0 113.144 -173.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -118.09 -57.9 2.05 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.882 0.372 . . . . 0.0 110.631 -179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 95.5 t -93.87 116.02 34.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.676 0.75 . . . . 0.0 111.758 -174.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.41 ' HA ' HH22 ' A' ' 91' ' ' ARG . 52.2 mt-30 -95.3 162.3 25.14 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 114.941 -1.027 . . . . 0.0 108.709 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -49.74 114.12 1.24 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.515 2.143 . . . . 0.0 112.499 178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -68.46 170.72 14.31 Favored 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 122.954 2.436 . . . . 0.0 112.382 -177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 33.9 t -77.1 81.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.389 0.614 . . . . 0.0 110.098 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.96 ' HB2' ' HE ' ' A' ' 104' ' ' ARG . 30.2 mt -64.14 151.74 42.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.605 177.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 102' ' ' PRO . 3.8 m-20 -55.7 138.75 69.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.66 -178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 101' ' ' ASP . 31.6 Cg_exo -59.89 -11.63 15.78 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.833 3.022 . . . . 0.0 113.568 -175.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.543 ' HD2' ' HE2' ' A' ' 107' ' ' TYR . 16.8 tpp180 -55.92 -40.99 73.9 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.101 0.477 . . . . 0.0 110.511 177.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.96 ' HE ' ' HB2' ' A' ' 100' ' ' LEU . 34.9 ptt85 -65.95 -33.31 75.52 Favored 'General case' 0 C--O 1.212 -0.917 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.047 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.29 -16.16 61.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.94 0.4 . . . . 0.0 110.893 -177.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 15.5 m -91.25 -48.46 6.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.956 176.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.543 ' HE2' ' HD2' ' A' ' 103' ' ' ARG . 97.1 m-85 -85.5 -26.75 26.07 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.975 0.732 . . . . 0.0 112.975 -172.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.428 HG22 ' HA ' ' A' ' 70' ' ' GLU . 54.7 t -68.95 118.28 12.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -108.7 125.33 51.78 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.263 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.23 148.42 25.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.854 -177.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -131.09 124.82 31.61 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.497 176.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 16.3 m -82.34 120.1 24.99 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 174.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 32.7 p -63.42 135.91 57.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.991 0.424 . . . . 0.0 111.542 -176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.413 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -68.19 173.28 4.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.231 176.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' N ' ' CG ' ' A' ' 114' ' ' ASP . 6.5 tp-100 -49.23 -38.8 27.67 Favored 'General case' 0 C--N 1.316 -0.859 0 C-N-CA 124.183 0.993 . . . . 0.0 112.958 -175.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.519 HD21 ' HB2' ' A' ' 118' ' ' ARG . 2.2 p-10 -87.99 8.62 25.58 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.873 -0.331 . . . . 0.0 111.289 -177.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.425 ' HA3' ' HB3' ' A' ' 61' ' ' LYS . . . 74.9 51.01 8.13 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.992 -0.623 . . . . 0.0 112.007 -179.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.519 ' HB2' HD21 ' A' ' 116' ' ' ASN . 39.7 ttm180 -131.84 147.64 52.5 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.508 -0.407 . . . . 0.0 110.765 -177.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . . . . . . . . . 45.3 p90 -144.59 148.92 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.74 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -131.41 141.67 49.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.973 0.416 . . . . 0.0 110.614 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.553 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 78.2 m-85 -129.31 148.36 51.23 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.454 175.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -150.09 171.29 17.1 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.426 ' HE1' ' HG2' ' A' ' 40' ' ' GLN . 28.7 t-80 60.21 47.47 9.24 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 123.785 0.678 . . . . 0.0 110.3 179.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 121' ' ' PHE . 61.1 mt -116.79 132.84 23.19 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.928 -178.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.543 ' HG2' ' O ' ' A' ' 38' ' ' THR . 16.7 Cg_exo -68.55 162.94 38.75 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.961 2.441 . . . . 0.0 111.601 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -81.54 144.81 31.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.041 0.448 . . . . 0.0 111.029 -176.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 150.41 -175.67 29.36 Favored Glycine 0 N--CA 1.449 -0.471 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.982 -179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.591 HG22 ' HB ' ' A' ' 157' ' ' THR . 13.6 p -93.56 127.24 39.14 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.944 0.402 . . . . 0.0 111.093 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.412 ' HB3' HD11 ' A' ' 69' ' ' LEU . 93.5 m-85 -124.98 155.92 38.89 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.493 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 72' ' ' ALA . 46.9 m-85 -101.24 108.17 19.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.174 177.226 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.544 HD12 HG21 ' A' ' 156' ' ' VAL . 10.8 mt -94.29 109.59 22.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 13.2 t -113.03 126.69 55.77 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.199 -176.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 15.8 t -130.46 120.06 23.6 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.961 0.41 . . . . 0.0 110.348 177.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -93.32 101.9 14.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.388 0.613 . . . . 0.0 110.191 177.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 52.3 tp -119.15 101.37 7.96 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.736 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 22.5 p -115.07 122.76 47.16 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.454 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.565 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 43.0 p90 -127.15 171.53 11.33 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.685 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.3 p -120.35 114.65 22.17 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.655 -177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -114.27 149.21 36.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.345 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -88.33 107.92 19.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.085 0.469 . . . . 0.0 110.963 -178.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 18.9 t -89.41 80.87 6.69 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 173.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 28.2 t70 67.35 -79.75 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.119 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -127.32 -1.69 6.6 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.164 178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -108.58 117.79 35.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.628 0.252 . . . . 0.0 110.657 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 42.3 m -80.57 99.49 8.12 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.974 0.416 . . . . 0.0 109.885 176.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 34.9 pt -92.85 157.44 2.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.734 -177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 23.6 m -104.2 101.2 10.94 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.032 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.565 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 44.5 mt-10 -88.31 162.95 16.31 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 101.5 -144.04 16.31 Favored Glycine 0 N--CA 1.44 -1.04 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.36 177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 137.93 -149.42 20.42 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 25.5 m -108.1 102.58 11.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 120.905 0.383 . . . . 0.0 110.031 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.405 HG11 HD21 ' A' ' 52' ' ' LEU . 7.8 p -94.46 116.19 35.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.391 0.615 . . . . 0.0 110.051 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . . . . . . . . . 58.3 m -118.04 121.82 41.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.495 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.488 ' HE2' ' O ' ' A' ' 169' ' ' THR . 60.3 mttm -109.35 140.9 42.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.853 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.517 HD11 ' HB ' ' A' ' 128' ' ' THR . 59.4 tp -82.42 97.33 8.32 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 172.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.544 HG21 HD12 ' A' ' 131' ' ' ILE . 89.7 t -97.39 109.82 24.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.419 -176.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . 0.591 ' HB ' HG22 ' A' ' 128' ' ' THR . 3.2 t -95.88 105.82 17.89 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.769 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 49.3 t -84.15 84.24 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 175.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 38.6 t -73.53 -34.04 65.04 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.843 -176.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.09 157.21 17.58 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.458 -0.877 . . . . 0.0 112.455 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.99 13.91 4.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.983 0.421 . . . . 0.0 111.679 -178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -87.45 160.9 47.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 174.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.2 111.89 1.0 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.55 2.167 . . . . 0.0 112.326 177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -94.93 107.46 19.49 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.527 179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -84.67 119.9 25.77 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.466 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 55.4 t -121.92 114.63 43.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.833 -176.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 94.3 mt -81.58 109.63 16.2 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 174.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.55 93.88 6.16 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.534 0.683 . . . . 0.0 109.527 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.528 ' HA ' HD23 ' A' ' 52' ' ' LEU . 12.4 t -153.82 -152.7 0.43 Allowed 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.802 -1.09 . . . . 0.0 108.305 -177.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 170' ' ' ARG . 47.9 mtm180 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.817 -0.611 . . . . 0.0 109.836 175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.604 0 N-CA-C 111.634 -0.587 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -63.89 -64.12 0.98 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.717 0.294 . . . . 0.0 110.454 179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t -177.79 167.89 2.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.1 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -106.81 -2.49 21.4 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 173.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -99.14 125.4 44.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.276 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -140.37 -79.81 0.28 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.024 174.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -172.96 95.91 0.12 Allowed 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -82.67 118.94 23.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.121 0.486 . . . . 0.0 111.342 -175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-160 -119.87 -18.69 8.17 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.867 174.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.4 m -56.26 114.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.692 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 m -134.09 88.63 2.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.881 -178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 87.84 150.95 20.95 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.976 -177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -77.27 -52.23 9.56 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 42.3 t -112.71 99.23 47.24 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.692 176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -81.79 -19.1 7.49 Favored 'Trans proline' 0 N--CA 1.464 -0.251 0 C-N-CA 122.763 2.309 . . . . 0.0 113.624 -175.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 16' ' ' ARG . 6.8 ptt180 -132.8 154.98 49.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.197 0.523 . . . . 0.0 111.606 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.47 -33.25 1.45 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 -175.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.9 m 59.68 -86.15 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.56 0.744 . . . . 0.0 112.222 177.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -136.56 -36.35 0.71 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.66 0.267 . . . . 0.0 110.462 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.2 ttp -149.56 118.68 6.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.009 0.433 . . . . 0.0 110.405 177.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.38 -157.66 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.215 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p 57.37 -162.1 0.21 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.908 0.883 . . . . 0.0 112.165 177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -94.81 143.42 26.15 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.221 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -54.25 -34.12 78.24 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.969 2.446 . . . . 0.0 113.675 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -126.35 152.51 46.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.264 0.554 . . . . 0.0 111.251 -177.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -102.66 97.29 7.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.253 -176.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB3' ' CD ' ' A' ' 28' ' ' PRO . 82.8 mt 71.05 172.09 0.1 Allowed Pre-proline 0 N--CA 1.471 0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.308 174.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.507 ' CD ' ' HB3' ' A' ' 27' ' ' LEU . 15.6 Cg_exo -66.64 -76.84 0.01 OUTLIER 'Trans proline' 0 C--N 1.356 0.959 0 C-N-CA 122.28 1.987 . . . . 0.0 113.724 -173.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -168.71 -168.66 0.91 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 -174.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 56.99 81.32 0.26 Allowed Pre-proline 0 N--CA 1.466 0.332 0 C-N-CA 123.273 0.629 . . . . 0.0 111.268 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.15 82.46 0.62 Allowed 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.011 2.474 . . . . 0.0 113.152 -175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 68.69 -24.14 0.14 Allowed 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 114.017 1.117 . . . . 0.0 114.017 170.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -57.49 -23.74 51.79 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 112.081 0.4 . . . . 0.0 112.081 -175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.679 ' OE1' ' HB ' ' A' ' 73' ' ' THR . 54.4 tt0 -62.03 -28.0 69.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.05 0.452 . . . . 0.0 111.114 -179.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -79.82 -7.67 58.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.425 -177.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.53 -2.69 58.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.831 0.348 . . . . 0.0 111.174 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -105.62 3.47 29.2 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.87 0.367 . . . . 0.0 111.455 -178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.8 m -86.27 84.4 7.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.944 0.402 . . . . 0.0 111.313 -176.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -149.6 110.98 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.543 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 178.03 110.08 0.03 OUTLIER 'General case' 0 CA--C 1.516 -0.355 0 O-C-N 123.526 0.517 . . . . 0.0 110.27 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.3 p -63.38 138.26 23.27 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 168.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 124' ' ' ILE . . . -126.38 -174.23 13.79 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.157 -1.02 . . . . 0.0 113.018 -176.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -141.75 20.69 2.54 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 176.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.49 114.65 3.98 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.617 177.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.478 ' HB ' ' HA ' ' A' ' 163' ' ' PRO . 21.9 t -92.14 115.4 31.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.421 HD11 HG21 ' A' ' 158' ' ' VAL . 28.6 mt -116.06 111.73 36.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.26 -176.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.595 ' O ' ' HA ' ' A' ' 165' ' ' LYS . 13.0 m120 -102.35 118.93 37.92 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 179.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -103.1 119.81 6.55 Favored Glycine 0 C--N 1.315 -0.589 0 C-N-CA 119.848 -1.168 . . . . 0.0 112.671 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.532 ' HB3' ' HG ' ' A' ' 167' ' ' LEU . 1.0 OUTLIER -96.65 108.9 21.59 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 178.109 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 HD13 HD23 ' A' ' 168' ' ' LEU . 45.3 tp -93.33 134.76 35.22 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.112 -174.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.404 ' HE1' HD23 ' A' ' 167' ' ' LEU . 45.8 p90 -176.06 121.82 0.17 Allowed 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.953 0.783 . . . . 0.0 109.956 169.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 169' ' ' THR . 78.0 mt -109.22 119.46 39.56 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.231 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 m -78.78 126.26 30.47 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.0 m -70.83 165.23 23.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -64.13 -14.69 56.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.978 0.418 . . . . 0.0 111.426 -178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 9.5 m -88.46 0.83 55.85 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.193 178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.43 1.89 85.55 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.24 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.46 138.13 38.3 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 178.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.8 mt -95.83 113.85 31.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-O 120.974 0.416 . . . . 0.0 111.138 -176.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -90.04 96.81 10.85 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 173.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.536 ' HD2' ' HA3' ' A' ' 117' ' ' GLY . 4.7 tmtt? -63.87 -29.85 71.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.919 -172.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.01 101.31 0.65 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.182 -1.008 . . . . 0.0 111.597 -177.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.7 m -105.4 118.33 36.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.692 -0.299 . . . . 0.0 110.333 -178.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 67.1 m-20 57.97 38.74 26.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.659 0.599 . . . . 0.0 111.114 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 24.7 m -83.41 137.83 33.75 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.347 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -91.58 120.93 32.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.882 -175.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.8 142.78 18.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.208 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -115.67 120.34 39.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.827 0.346 . . . . 0.0 110.316 177.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.7 tp -104.09 104.13 14.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.976 177.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.482 ' HG2' HG13 ' A' ' 108' ' ' VAL . 49.4 mt-10 -104.28 139.23 19.9 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.616 -177.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.534 ' HG2' ' HB3' ' A' ' 107' ' ' TYR . 23.7 Cg_exo -65.01 120.04 7.19 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.22 1.946 . . . . 0.0 110.944 173.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.32 103.23 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.016 0.436 . . . . 0.0 110.884 -176.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.679 ' HB ' ' OE1' ' A' ' 34' ' ' GLU . 33.1 p -104.61 164.08 12.02 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.743 -179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.5 m -68.94 -28.73 66.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.54 0.686 . . . . 0.0 109.355 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -61.52 -31.27 71.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.649 -1.16 . . . . 0.0 111.225 178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HG2' ' OG1' ' A' ' 73' ' ' THR . 96.6 mmm -96.34 3.48 52.93 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -173.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -59.41 -43.94 92.94 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 28' ' ' PRO . . . -72.95 -25.29 60.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.238 0.542 . . . . 0.0 110.923 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -76.74 -40.64 47.83 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.547 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -64.59 -29.21 70.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.769 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.62 -39.56 94.68 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.919 0.39 . . . . 0.0 110.753 177.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -85.22 -57.62 3.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.742 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -98.52 7.65 45.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 112.163 -168.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.98 -58.74 10.74 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.372 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -133.95 94.41 3.26 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.092 0.472 . . . . 0.0 109.989 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 6.3 tt -124.61 119.27 28.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.444 -177.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -66.2 150.14 49.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.782 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.39 -26.28 68.68 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -175.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -70.97 -21.48 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.246 0.546 . . . . 0.0 109.999 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.446 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 14.2 mmmm -88.68 -2.74 58.75 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.255 178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.8 tpt180 -68.83 94.07 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.537 ' HB3' HG23 ' A' ' 95' ' ' VAL . 11.3 t70 -104.25 136.19 19.22 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.018 -177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 52.5 Cg_exo -56.77 -19.26 30.24 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.169 2.579 . . . . 0.0 113.473 179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -74.86 -27.97 60.48 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.284 0.564 . . . . 0.0 110.361 177.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 92' ' ' ASP . 14.9 t -82.87 73.54 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.152 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.407 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 23.4 mt-30 -91.78 142.4 26.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.566 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 98' ' ' PRO . 4.8 Cg_exo -74.97 115.25 4.23 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.884 2.389 . . . . 0.0 111.921 177.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 97' ' ' PRO . 16.9 Cg_exo -68.49 157.08 63.32 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.732 2.288 . . . . 0.0 111.77 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 46.0 t -69.63 110.23 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.012 0.434 . . . . 0.0 110.449 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 83.9 mt -94.28 -162.64 0.96 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.255 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.518 ' OD2' ' HB2' ' A' ' 103' ' ' ARG . 21.2 t70 -70.63 131.09 88.17 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.492 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -64.86 -24.66 60.86 Favored 'Trans proline' 0 N--CA 1.473 0.319 0 C-N-CA 123.28 2.654 . . . . 0.0 113.636 -176.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.518 ' HB2' ' OD2' ' A' ' 101' ' ' ASP . 68.0 mtm180 -68.88 -13.44 62.42 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.756 0.312 . . . . 0.0 110.881 -177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 45.1 mtp85 -55.87 -34.34 65.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 175.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.97 -23.52 67.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.369 -178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 7.7 m -92.67 -32.64 14.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.534 ' HB3' ' HG2' ' A' ' 71' ' ' PRO . 26.6 m-85 -83.93 -38.24 21.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.945 -175.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.482 HG13 ' HG2' ' A' ' 70' ' ' GLU . 98.1 t -68.89 110.66 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.042 0.449 . . . . 0.0 110.166 -179.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -87.71 127.09 35.3 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.182 -177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -101.68 130.31 48.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -130.14 157.23 43.01 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.726 -179.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 27.8 m -126.21 120.29 29.66 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.717 177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.503 HG22 ' HD1' ' A' ' 119' ' ' PHE . 70.1 p -58.94 133.73 56.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.42 -177.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -70.22 -179.26 1.92 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -57.61 -24.85 58.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -86.67 4.1 41.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.057 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.536 ' HA3' ' HD2' ' A' ' 61' ' ' LYS . . . 66.8 42.87 92.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.083 -0.58 . . . . 0.0 112.357 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.2 ttp85 -137.36 145.06 42.86 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.948 0.404 . . . . 0.0 110.875 178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.503 ' HD1' HG22 ' A' ' 113' ' ' THR . 14.5 p90 -123.23 123.92 41.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.005 176.098 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -111.87 127.51 55.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.789 0.328 . . . . 0.0 110.978 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.441 ' HB3' HD11 ' A' ' 124' ' ' ILE . 92.5 m-85 -116.36 153.08 32.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.352 178.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -162.18 -177.91 6.03 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 173.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.408 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 77.9 m-70 63.72 28.69 14.94 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.978 0.418 . . . . 0.0 110.594 -174.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.505 ' C ' ' HA3' ' A' ' 42' ' ' GLY . 67.1 mt -109.61 134.54 20.54 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.644 -173.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.31 178.45 5.5 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.768 2.312 . . . . 0.0 112.019 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -91.81 141.09 29.04 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.746 -178.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 159.43 -167.46 35.09 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.965 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 7.4 p -97.27 134.8 40.08 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.574 0.226 . . . . 0.0 110.891 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -134.67 149.8 50.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.882 0.372 . . . . 0.0 111.333 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.443 ' CE1' HD13 ' A' ' 155' ' ' LEU . 32.0 m-85 -103.13 121.53 42.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.883 175.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.615 ' O ' ' HA ' ' A' ' 153' ' ' THR . 74.2 mt -97.49 104.56 16.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 171.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 51.0 m -111.88 142.64 44.01 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.943 -0.572 . . . . 0.0 111.09 -176.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.414 ' OG ' HD21 ' A' ' 168' ' ' LEU . 18.2 p -157.18 143.1 17.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.529 177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 150' ' ' GLY . 0.4 OUTLIER -109.92 105.62 14.86 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 175.307 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.488 HD23 HD12 ' A' ' 52' ' ' LEU . 48.1 tp -125.83 111.84 15.32 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 1.1 p -121.37 137.47 54.69 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.201 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.486 ' NE1' ' HB2' ' A' ' 148' ' ' GLU . 49.2 p90 -133.59 155.14 50.19 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.271 179.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.425 ' HB2' HG22 ' A' ' 145' ' ' THR . 8.8 p -98.3 123.61 42.48 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.708 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -112.99 128.87 56.61 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.973 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -81.1 119.12 23.15 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.417 0.627 . . . . 0.0 110.305 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . . . . . . . . . 49.5 m -106.25 -146.55 0.39 Allowed 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.155 178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -76.79 84.74 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.368 0.604 . . . . 0.0 110.878 -177.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 84.05 -12.31 54.35 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 115.563 -0.744 . . . . 0.0 113.27 176.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -125.8 142.62 51.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.981 0.39 . . . . 0.0 110.646 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 138' ' ' SER . 24.3 m -100.06 106.95 18.75 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.936 177.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 44.7 pt -94.89 171.55 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.577 -177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 50.4 m -117.52 120.68 38.83 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.838 0.352 . . . . 0.0 110.903 -178.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.486 ' HB2' ' NE1' ' A' ' 137' ' ' TRP . 35.0 mt-10 -103.76 168.6 9.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 177.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 94.3 -162.36 24.7 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.276 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.447 ' O ' ' HA ' ' A' ' 134' ' ' GLU . . . 148.4 -149.31 21.34 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.319 -0.712 . . . . 0.0 111.319 -178.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 19.8 m -96.1 108.89 21.38 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.773 0.32 . . . . 0.0 110.333 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.1 p -109.82 137.62 41.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.288 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 42.8 m -136.42 129.12 30.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.153 -178.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.444 ' HE2' ' O ' ' A' ' 169' ' ' THR . 54.6 mttm -109.5 134.02 52.39 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.579 174.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.2 tp -87.03 105.29 17.05 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 175.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 47.3 t -104.94 115.81 47.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.685 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 13.5 m -93.21 99.79 12.29 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.958 176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.421 HG21 HD11 ' A' ' 46' ' ' ILE . 40.6 t -89.09 92.87 4.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.197 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 8.0 t -110.4 29.0 8.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.403 0.62 . . . . 0.0 109.841 -179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -150.06 137.04 5.96 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.405 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . . . . . . . . . 45.5 m -96.52 63.93 2.14 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.348 0.594 . . . . 0.0 111.145 -176.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -149.24 165.78 16.86 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.566 177.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.478 ' HA ' ' HB ' ' A' ' 45' ' ' VAL . 27.3 Cg_exo -63.14 109.99 1.07 Allowed 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.774 2.316 . . . . 0.0 112.21 -179.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -118.93 125.37 49.3 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.61 177.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 47' ' ' ASN . 31.9 ttpt -94.56 116.88 29.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.299 0.571 . . . . 0.0 110.365 179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.465 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 59.7 t -105.48 111.76 36.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.15 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 165' ' ' LYS . 9.0 mp -79.15 113.8 17.58 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 121.139 0.495 . . . . 0.0 110.586 -177.413 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.526 HD23 HD13 ' A' ' 50' ' ' LEU . 31.2 tp -81.11 100.67 9.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.822 -178.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.492 ' HA ' HD23 ' A' ' 52' ' ' LEU . 13.0 t -163.53 -169.95 2.09 Favored 'General case' 0 N--CA 1.444 -0.768 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.5 ' HG2' ' OXT' ' A' ' 170' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-O 118.461 -0.78 . . . . 0.0 109.724 177.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 111.892 -0.483 . . . . 0.0 111.892 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -97.93 104.6 16.64 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 m -127.96 -173.34 2.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.981 0.42 . . . . 0.0 111.237 -174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -80.48 -159.1 0.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 172.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -66.71 89.19 0.15 Allowed 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.862 0.839 . . . . 0.0 109.43 170.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 15.4 p80 -81.74 84.07 6.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.721 -171.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.8 t60 -160.49 75.48 0.57 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.202 172.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -115.01 135.05 54.65 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.648 -177.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -66.66 124.31 22.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.311 179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.4 t 63.4 -172.56 0.17 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.566 -176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 38.3 t -100.7 120.79 40.61 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.884 0.373 . . . . 0.0 110.08 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.71 47.95 0.99 Allowed Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.957 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 84.5 mt -90.37 83.65 5.95 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.935 0.398 . . . . 0.0 110.373 -179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 5.5 m -122.29 100.47 42.08 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 121.23 0.538 . . . . 0.0 110.623 178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_exo -73.21 106.48 2.17 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.907 2.405 . . . . 0.0 112.033 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -163.51 -50.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.739 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.5 38.22 25.3 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.602 175.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 p -74.8 -32.06 61.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.641 0.258 . . . . 0.0 110.87 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.2 m170 69.92 168.14 0.3 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.097 178.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.7 tpt -98.07 86.14 3.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.627 178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.49 117.05 33.56 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.767 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t -170.53 -48.14 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.008 0.432 . . . . 0.0 110.673 -179.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.1 p-10 -137.94 151.9 71.12 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -176.354 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -65.7 -18.52 58.75 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.732 2.288 . . . . 0.0 111.936 176.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 75.71 -56.1 0.6 Allowed 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.726 0.81 . . . . 0.0 111.9 174.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -79.75 91.84 5.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.739 0.781 . . . . 0.0 112.528 -170.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt -136.19 130.38 18.29 Favored Pre-proline 0 C--N 1.315 -0.891 0 CA-C-N 114.516 -1.22 . . . . 0.0 107.871 166.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.531 ' HG2' ' HA ' ' A' ' 75' ' ' TYR . 57.8 Cg_exo -40.61 106.74 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.607 2.872 . . . . 0.0 113.783 -175.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -85.13 -42.95 14.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.442 -178.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.721 ' HB2' ' HD3' ' A' ' 31' ' ' PRO . 87.4 m-85 -76.12 -52.79 2.41 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.375 -178.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.721 ' HD3' ' HB2' ' A' ' 30' ' ' PHE . 22.3 Cg_exo -65.5 123.28 11.21 Favored 'Trans proline' 0 C--N 1.354 0.835 0 C-N-CA 121.977 1.785 . . . . 0.0 111.434 176.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -172.11 -47.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.074 0.464 . . . . 0.0 110.568 -173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -11.1 60.57 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.041 -0.527 . . . . 0.0 112.106 -170.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.32 -27.3 65.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.998 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -67.64 -30.19 69.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.46 -13.61 56.45 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.97 0.414 . . . . 0.0 110.705 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -101.69 26.95 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.901 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 5.5 p -80.36 148.69 30.53 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.077 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -101.88 142.15 33.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.913 0.387 . . . . 0.0 111.202 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -103.6 -6.04 22.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 176.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -106.44 138.0 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.206 -0.907 . . . . 0.0 109.755 179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.621 ' O ' ' HA ' ' A' ' 123' ' ' HIS . . . -179.51 158.76 22.89 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -114.69 -1.73 22.8 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.234 -0.984 . . . . 0.0 112.952 -178.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.479 ' HA2' ' HA ' ' A' ' 161' ' ' SER . . . -59.46 132.4 51.72 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.903 -0.665 . . . . 0.0 112.208 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 63.1 t -119.84 120.3 62.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 121' ' ' PHE . 63.7 mt -108.96 123.12 64.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 120.97 0.414 . . . . 0.0 110.719 -177.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -113.46 104.87 12.71 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 166' ' ' VAL . . . -114.38 140.23 16.19 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.129 -1.034 . . . . 0.0 113.678 -172.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -115.74 114.8 25.3 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 174.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.602 ' HG ' ' O ' ' A' ' 61' ' ' LYS . 35.6 tp -93.16 115.26 27.9 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.73 -176.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 61' ' ' LYS . 30.4 p90 -159.65 118.5 2.83 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.381 -0.827 . . . . 0.0 108.825 172.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.558 HD23 ' HA ' ' A' ' 169' ' ' THR . 80.7 mt -99.02 122.17 41.92 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.297 -174.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.7 p -74.51 125.16 27.99 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.339 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -80.77 171.06 15.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.957 178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.07 -21.73 63.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.284 0.564 . . . . 0.0 110.386 177.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.5 p -87.72 -9.28 54.52 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.588 176.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 81.17 9.15 86.46 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.153 -176.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.594 ' O ' ' HB ' ' A' ' 59' ' ' ILE . . . -60.64 -47.57 85.63 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.594 ' HB ' ' O ' ' A' ' 58' ' ' ALA . 67.8 mt 77.92 127.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--O 1.234 0.261 0 O-C-N 123.708 0.63 . . . . 0.0 111.539 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' HG3' ' CD2' ' A' ' 137' ' ' TRP . 20.1 mm-40 -120.94 123.19 41.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 108.951 173.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.602 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 25.0 mmtt -65.7 -78.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.733 0.302 . . . . 0.0 111.667 -175.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.07 73.51 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.338 -175.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.546 HG22 ' HA ' ' A' ' 115' ' ' GLN . 2.1 p -85.81 104.99 16.0 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.563 -176.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 63.61 71.38 0.5 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.48 -176.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.506 HG21 ' HB2' ' A' ' 135' ' ' LEU . 15.2 m -129.84 150.55 51.08 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.888 -173.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 133' ' ' SER . 33.1 mttm -79.69 111.86 16.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.986 -177.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 111' ' ' ALA . 89.8 t -105.76 100.01 9.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 168.317 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.31 119.17 32.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.833 -176.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 131' ' ' ILE . 66.2 tp -107.26 111.18 23.43 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.274 179.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.571 ' HB3' HG22 ' A' ' 108' ' ' VAL . 13.7 pt-20 -130.2 146.31 61.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.906 0.384 . . . . 0.0 110.923 178.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.88 141.43 58.82 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 123.069 2.513 . . . . 0.0 112.544 -178.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.99 99.95 5.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.295 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 50.0 p -102.82 168.24 9.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.728 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.498 ' HB2' ' HB3' ' A' ' 31' ' ' PRO . 8.4 m -74.17 -30.06 62.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.024 0.44 . . . . 0.0 109.889 177.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.531 ' HA ' ' HG2' ' A' ' 28' ' ' PRO . 77.4 t80 -68.24 -41.78 80.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.795 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.3 tpt -86.6 -7.42 58.36 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.835 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.39 -41.79 80.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.785 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.96 -32.85 59.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.201 -179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -69.75 -46.45 65.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.56 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -73.8 -9.89 59.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.4 -26.32 55.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.327 0.584 . . . . 0.0 109.817 173.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.26 -55.82 3.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.076 178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -98.2 -101.82 0.2 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.502 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 59.86 -114.28 6.17 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 121.106 -0.569 . . . . 0.0 111.987 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -76.23 96.6 3.96 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.558 ' HG ' ' HB2' ' A' ' 90' ' ' LYS . 7.9 tt -124.89 106.25 9.85 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.135 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.526 ' H ' ' HD3' ' A' ' 90' ' ' LYS . 15.6 t70 -67.49 163.0 21.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.729 176.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.35 64.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.056 0.455 . . . . 0.0 110.691 175.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -78.33 -12.72 60.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.096 177.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.558 ' HB2' ' HG ' ' A' ' 86' ' ' LEU . 51.1 mtpt -102.76 8.86 39.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.961 0.41 . . . . 0.0 109.975 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.529 ' HA ' HD21 ' A' ' 86' ' ' LEU . 27.7 tpt180 -69.27 112.27 5.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.141 -174.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 12.2 t70 -118.3 123.01 29.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.846 177.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 92' ' ' ASP . 97.5 Cg_endo -93.42 5.07 3.04 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 123.174 2.583 . . . . 0.0 113.778 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -100.6 -39.05 8.08 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 122.285 -0.26 . . . . 0.0 110.827 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.39 106.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.244 0.545 . . . . 0.0 110.537 178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 52.8 mt-30 -84.1 139.23 39.51 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.74 -179.119 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 96' ' ' GLN . 19.6 Cg_exo -66.49 114.22 3.0 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.722 2.281 . . . . 0.0 110.657 172.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.72 159.99 26.49 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.859 2.372 . . . . 0.0 112.814 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 43.7 t -67.43 110.79 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.033 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -127.98 -172.66 2.74 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.681 -179.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 104' ' ' ARG . 10.6 t70 -64.03 129.31 93.87 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.382 -174.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_endo -79.26 -16.8 12.02 Favored 'Trans proline' 0 CA--C 1.532 0.393 0 C-N-CA 122.893 2.395 . . . . 0.0 113.674 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -67.34 -15.47 63.71 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.546 0.212 . . . . 0.0 111.514 -175.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 101' ' ' ASP . 9.1 ptm85 -61.95 -22.9 66.02 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.026 -0.27 . . . . 0.0 110.787 179.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.23 -30.27 70.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.008 0.432 . . . . 0.0 110.427 176.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.9 m -95.9 -31.23 13.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.919 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.402 ' HB2' ' HA ' ' A' ' 104' ' ' ARG . 15.5 m-85 -75.21 -41.5 57.57 Favored 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.571 HG22 ' HB3' ' A' ' 70' ' ' GLU . 52.2 t -74.27 119.16 21.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.798 0.332 . . . . 0.0 110.565 -177.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -82.31 124.2 29.76 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.29 -0.413 . . . . 0.0 109.983 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -101.36 124.82 47.66 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.858 0.361 . . . . 0.0 110.649 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.521 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . . . -111.15 109.35 19.37 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.965 177.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 4.8 m -82.5 101.31 10.62 Favored 'General case' 0 C--N 1.313 -0.986 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.413 HG22 ' HB3' ' A' ' 119' ' ' PHE . 12.3 p -60.29 128.01 34.61 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.748 -176.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.432 ' CG ' ' N ' ' A' ' 115' ' ' GLN . 14.2 t70 -66.9 171.68 5.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.384 0.612 . . . . 0.0 109.65 174.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.546 ' HA ' HG22 ' A' ' 63' ' ' THR . 33.3 mt-30 -57.18 -18.25 14.72 Favored 'General case' 0 C--N 1.306 -1.294 0 CA-C-N 115.001 -0.999 . . . . 0.0 112.441 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 22.9 m-80 -65.01 -30.97 71.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.91 0.386 . . . . 0.0 111.029 172.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 87.77 6.97 75.59 Favored Glycine 0 C--O 1.226 -0.356 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 -175.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -100.56 146.32 27.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.775 0.322 . . . . 0.0 110.924 -177.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' PHE . . . . . 0.413 ' HB3' HG22 ' A' ' 113' ' ' THR . 51.7 p90 -140.93 140.94 34.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.96 175.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -128.0 147.74 50.51 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.703 -176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.576 ' HB2' ' HB ' ' A' ' 46' ' ' ILE . 57.3 m-85 -141.15 150.17 42.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.28 176.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 2.8 p30 -150.09 -177.14 5.75 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 169.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.621 ' HA ' ' O ' ' A' ' 42' ' ' GLY . 0.2 OUTLIER 63.37 35.94 11.89 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 123.47 0.481 . . . . 0.0 109.81 -174.786 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 41.0 mm -97.41 119.21 63.36 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.267 -175.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -66.62 131.69 26.78 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.14 1.894 . . . . 0.0 110.249 171.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -63.79 130.06 42.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.409 0.623 . . . . 0.0 111.364 -175.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 168.47 -166.33 39.48 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.912 -177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 25.5 p -97.39 125.55 42.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.573 0.225 . . . . 0.0 111.239 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -130.83 148.37 52.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.942 0.401 . . . . 0.0 111.338 -178.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.422 ' CE1' HD13 ' A' ' 155' ' ' LEU . 44.5 m-85 -101.41 120.63 40.57 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.003 175.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.505 HG12 HD13 ' A' ' 69' ' ' LEU . 69.1 mt -95.92 104.8 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 12.7 t -111.52 113.76 26.4 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.435 -176.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 66' ' ' LYS . 15.1 p -115.81 130.49 56.86 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.684 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -99.54 100.62 11.66 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.138 0.494 . . . . 0.0 110.118 179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 65' ' ' THR . 59.8 tp -140.13 107.66 5.59 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.854 179.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' THR . . . . . . . . . . . . . 3.2 t -126.46 137.28 53.38 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.9 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.54 ' CE2' ' HB2' ' A' ' 148' ' ' GLU . 47.9 p90 -132.14 170.98 14.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.905 0.383 . . . . 0.0 110.589 -175.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 9.0 p -123.12 125.31 44.92 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.639 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -113.06 151.69 30.42 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.71 178.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -109.42 117.73 34.78 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 121.23 0.538 . . . . 0.0 111.571 -173.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' SER . . . . . 0.462 ' HB3' ' HB2' ' A' ' 144' ' ' LYS . 6.7 t -103.64 -173.99 2.44 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 171.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.73 98.25 2.87 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.492 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 81.93 -3.06 81.79 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 116.122 -0.49 . . . . 0.0 112.743 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.462 ' HB2' ' HB3' ' A' ' 141' ' ' SER . 74.5 mmtt -127.06 108.52 11.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.832 0.349 . . . . 0.0 111.244 -175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' THR . . . . . . . . . . . . . 47.2 m -91.13 102.19 14.93 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 173.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.3 pt -91.76 137.99 20.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.041 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 22.1 m -107.05 111.96 24.68 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.971 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . 0.54 ' HB2' ' CE2' ' A' ' 137' ' ' TRP . 36.8 mt-10 -105.42 177.82 4.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.455 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' GLY . . . . . . . . . . . . . . . 82.35 -136.96 16.27 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.299 177.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 122.68 -125.4 6.0 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 111.073 -0.811 . . . . 0.0 111.073 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' THR . . . . . . . . . . . . . 29.5 m -120.81 105.1 10.4 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-O 121.087 0.47 . . . . 0.0 109.77 176.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 3.4 p -102.19 128.56 54.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 121.051 0.453 . . . . 0.0 110.512 -178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' THR . . . . . 0.454 ' HA ' ' O ' ' A' ' 131' ' ' ILE . 32.0 m -119.09 121.22 39.32 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.466 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . . . . . . . . . 53.6 tttm -109.48 119.73 40.33 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.422 HD13 ' CE1' ' A' ' 130' ' ' TYR . 56.5 tp -80.64 111.67 17.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.208 0.528 . . . . 0.0 110.318 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 59.9 t -109.9 129.97 63.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.02 -179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 3.4 t -107.98 91.83 3.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.769 0.795 . . . . 0.0 110.249 178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 25.5 t -82.24 98.23 4.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.1 m -96.71 -12.33 23.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.982 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -135.29 163.31 24.89 Favored Glycine 0 N--CA 1.443 -0.835 0 C-N-CA 120.692 -0.766 . . . . 0.0 111.674 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' SER . . . . . 0.479 ' HA ' ' HA2' ' A' ' 44' ' ' GLY . 54.4 m -87.28 15.9 5.85 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.302 0.572 . . . . 0.0 110.957 -178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -84.39 156.64 62.54 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.998 176.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -53.13 111.95 0.8 Allowed 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.856 2.371 . . . . 0.0 112.794 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -97.13 106.93 19.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.534 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -85.51 118.93 25.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.906 0.384 . . . . 0.0 110.108 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' VAL . . . . . 0.441 ' O ' ' HA2' ' A' ' 48' ' ' GLY . 83.9 t -114.93 114.94 47.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.086 -176.6 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' LEU . . . . . . . . . . . . . 84.6 mt -89.34 106.47 18.47 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 173.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 50' ' ' LEU . 14.3 tp -87.89 92.87 9.28 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -177.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' THR . . . . . 0.558 ' HA ' HD23 ' A' ' 52' ' ' LEU . 5.5 t -141.93 167.95 20.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.9 -174.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . 0.447 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 6.4 ptm180 . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.828 -176.96 . . . . . . . . 1 1 . 1 stop_ save_