data_6oqk_residue ############################ # Computer software used # ############################ 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 6oqk _Structure_validation_residue.Date_analyzed 2019-07-19 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.28 0.562 . . . . 10.0 111.534 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.4 mmt -99.93 169.14 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -69.78 -53.55 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.215 -0.194 . . . . 10.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.19 -57.92 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 119.115 -1.517 . . . . 10.0 115.038 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -2.79 28.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.816 0.808 . . . . 10.0 112.946 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.98 2.26 29.91 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.618 -0.801 . . . . 10.0 112.915 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.18 -29.67 70.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.934 0.494 . . . . 10.0 112.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -111.69 21.08 16.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 10.0 110.806 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -100.57 136.88 39.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.774 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -128.72 76.8 1.74 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.232 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.23 166.21 26.89 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.752 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -94.48 53.37 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 10.0 110.499 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -101.76 119.34 49.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.826 -1.079 . . . . 10.0 109.789 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 p -121.17 14.38 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 10.0 111.41 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -129.01 157.82 40.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.629 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.1 p -100.03 170.46 8.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.62 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 ptp -67.01 -24.8 66.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.017 0.437 . . . . 10.0 110.403 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 m -91.86 25.59 2.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -4.85 6.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.166 1.226 . . . . 10.0 116.166 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.47 131.66 38.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.834 0.817 . . . . 10.0 111.725 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.93 135.45 41.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.447 -0.797 . . . . 10.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 29.7 t -78.92 138.51 38.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.317 0.58 . . . . 10.0 111.634 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 23.0 tt0 -74.36 149.83 40.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.869 -1.059 . . . . 10.0 110.246 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 30' ' ' GLN . . . -74.74 138.15 42.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.4 -53.63 52.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -83.07 4.44 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.94 0.718 . . . . 10.0 112.94 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.4 m -98.01 126.27 43.36 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.178 -0.209 . . . . 10.0 110.557 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -81.84 92.23 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 10.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.36 158.37 38.96 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.749 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -38.83 -33.99 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.184 2.589 . . . . 10.0 112.136 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 42.3 m170 -82.87 100.46 10.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.25 143.05 57.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.766 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -135.99 134.85 39.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.024 0.44 . . . . 10.0 109.915 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.27 -1.33 75.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.759 -0.734 . . . . 10.0 113.275 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.78 75.01 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.488 -0.419 . . . . 10.0 111.089 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.48 125.73 90.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.211 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.38 -25.34 78.15 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.256 2.637 . . . . 10.0 113.265 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -65.51 -20.27 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 10.0 110.713 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -103.06 0.24 31.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.949 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -146.89 57.28 3.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.121 -0.945 . . . . 10.0 110.771 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.33 -15.17 16.06 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.096 1.864 . . . . 10.0 112.23 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -96.57 11.53 34.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.122 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -107.68 3.42 24.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 57.67 46.38 17.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.357 0.599 . . . . 10.0 111.26 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.81 87.99 5.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.81 150.42 49.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.122 0.487 . . . . 10.0 112.176 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 52.62 -114.38 0.84 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.834 -1.075 . . . . 10.0 112.696 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -148.4 34.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.641 0.734 . . . . 10.0 109.937 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.43 148.47 30.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -81.41 121.7 26.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.308 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -137.14 179.56 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.847 0.356 . . . . 10.0 110.875 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -117.35 87.77 25.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -81.91 -23.04 4.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.752 2.302 . . . . 10.0 114.711 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.577 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . 3.0 t0 -104.44 2.95 31.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.384 0.538 . . . . 10.0 111.915 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 88.9 mtm180 68.78 30.85 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.674 0.75 . . . . 10.0 110.05 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 61' ' ' ASP . 5.7 m-20 -64.9 174.08 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.339 -1.3 . . . . 10.0 111.52 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.73 -44.31 48.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.652 -1.158 . . . . 10.0 110.406 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -150.79 156.28 35.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.063 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.04 153.43 32.26 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.838 2.359 . . . . 10.0 112.627 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -151.62 163.35 39.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.71 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 6.0 p -151.58 156.62 40.85 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.192 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -77.54 155.0 31.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.67 140.38 52.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.816 -0.353 . . . . 10.0 111.56 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 32.76 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 10.0 111.056 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.466 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -116.0 118.79 37.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.725 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.67 -19.17 1.91 Allowed 'Trans proline' 0 N--CA 1.479 0.667 0 C-N-CA 124.213 3.275 . . . . 10.0 115.507 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.55 -23.66 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.0 -0.437 . . . . 10.0 112.17 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -123.92 101.99 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.308 0.114 . . . . 10.0 111.308 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -59.69 -45.58 91.67 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.752 0.311 . . . . 10.0 111.034 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -159.22 163.68 35.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.099 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -150.8 161.54 42.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.075 0.464 . . . . 10.0 111.382 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -85.52 158.74 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.434 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.1 t -120.84 125.6 47.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.273 -0.171 . . . . 10.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -88.92 115.34 26.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.231 0.539 . . . . 10.0 110.924 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.7 mt -122.34 136.21 26.26 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.55 133.54 12.99 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.296 2.664 . . . . 10.0 112.569 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -106.05 155.26 19.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.826 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 9' ' ' MET . 49.6 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.524 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.04 88.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.876 0.37 . . . . 10.0 111.047 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 26.0 tt0 -65.94 -38.72 89.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.831 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -64.92 -43.5 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.006 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.3 -42.98 96.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.203 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 14.2 mmt180 -66.56 -36.88 83.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.436 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 85.7 mt -63.41 -33.24 75.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.284 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -63.19 -41.57 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.3 -29.95 69.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.809 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -71.57 -42.37 67.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.46 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -65.68 -37.36 86.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.029 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -46.31 85.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.439 -0.801 . . . . 10.0 110.068 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.68 -24.99 62.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.12 -51.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 10.0 111.418 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.58 84.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 10.0 111.164 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -77.55 -22.19 51.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.416 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.06 -33.83 61.75 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.001 -1.111 . . . . 10.0 108.001 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.341 177.763 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -98.73 -17.49 18.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 117.528 2.418 . . . . 10.0 117.528 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.49 -72.85 0.5 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 120.501 3.519 . . . . 10.0 120.501 -170.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.29 -81.8 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 120.551 3.537 . . . . 10.0 120.551 -173.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -56.89 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 119.22 3.044 . . . . 10.0 119.22 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -34.86 -48.71 0.41 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.462 2.023 . . . . 10.0 116.462 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.12 -59.55 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.962 0.801 . . . . 10.0 110.92 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.06 -43.89 51.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.272 -0.876 . . . . 10.0 112.113 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.78 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -50.18 -52.35 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.728 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -63.12 -62.82 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.313 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp 58.47 -114.84 0.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.532 0.52 . . . . 10.0 110.197 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.643 0.258 . . . . 10.0 110.81 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 mmt -94.2 169.34 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.53 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.57 -53.33 49.45 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.583 -0.281 . . . . 10.0 110.832 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.56 -52.18 0.44 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.406 -1.378 . . . . 10.0 114.376 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -3.75 29.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.65 -14.42 18.35 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.013 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.51 -32.91 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.921 0.391 . . . . 10.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -102.87 18.33 21.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.956 0.408 . . . . 10.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -90.6 123.72 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.375 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -126.27 76.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.44 161.9 13.51 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.67 -0.776 . . . . 10.0 113.313 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -86.68 48.75 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 10.0 111.771 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 tt -97.1 116.36 39.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.119 0.485 . . . . 10.0 110.012 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -107.54 8.16 29.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -129.25 161.04 31.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.498 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.404 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -101.51 -167.25 1.39 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -74.17 -27.82 61.01 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.28 26.61 3.69 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.151 0.797 . . . . 10.0 113.151 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.64 -5.3 5.92 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 116.47 1.348 . . . . 10.0 116.47 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.39 136.12 54.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 118.449 1.124 . . . . 10.0 112.183 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.62 128.8 36.03 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.698 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.1 t -75.42 136.42 40.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.659 0.742 . . . . 10.0 112.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.31 138.26 40.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.73 -1.123 . . . . 10.0 110.002 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.28 135.78 55.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.25 . . . . 10.0 110.337 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.69 -52.33 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.321 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.36 3.22 16.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 11.7 t -98.93 135.07 40.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.92 0.391 . . . . 10.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -91.41 90.13 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.462 0.648 . . . . 10.0 110.036 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.84 157.97 35.03 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.069 -0.968 . . . . 10.0 109.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -35.48 -35.31 0.13 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.589 2.859 . . . . 10.0 113.126 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 57.0 m170 -83.98 102.73 12.67 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.85 152.47 45.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.98 145.73 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.497 0.665 . . . . 10.0 111.633 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.21 -4.06 58.63 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 115.145 -0.934 . . . . 10.0 113.01 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -87.54 63.32 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.287 0.565 . . . . 10.0 110.826 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 HG21 ' H ' ' A' ' 45' ' ' SER . 30.8 mm -72.57 125.92 91.06 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.256 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 52.9 Cg_exo -57.44 -23.86 57.89 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.387 2.724 . . . . 10.0 113.384 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.415 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.5 m -68.34 -12.68 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.7 -52.55 5.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.52 81.56 31.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.484 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.41 -4.02 13.39 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.411 2.074 . . . . 10.0 112.07 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -84.16 5.87 24.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.197 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -111.19 5.97 20.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.639 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.15 51.52 10.21 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.216 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.9 mp -80.59 73.65 7.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.233 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.84 155.87 24.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.621 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 54.53 -113.58 0.8 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.21 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -151.94 34.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 10.0 110.379 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -79.39 157.68 27.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.473 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.9 t -87.37 128.49 35.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.871 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.02 169.84 22.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -110.06 99.37 39.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 10.0 109.992 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.91 -15.55 1.3 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.55 2.167 . . . . 10.0 114.187 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 14.2 t70 -95.76 -12.65 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.163 -0.335 . . . . 10.0 111.814 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 15.0 mtm180 73.36 24.79 2.29 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.896 0.855 . . . . 10.0 108.952 -177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -78.03 -165.61 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.495 -1.229 . . . . 10.0 111.963 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.39 -47.57 72.56 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 34.3 ptt180 -161.8 152.78 15.11 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.501 -0.479 . . . . 10.0 112.099 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.05 146.6 16.91 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.142 2.561 . . . . 10.0 112.732 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 42.0 p-90 -154.12 171.72 18.69 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.543 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -158.53 160.87 37.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.73 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.18 155.92 31.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.566 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.16 140.73 52.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.017 0.437 . . . . 10.0 111.407 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.16 37.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.938 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -116.4 118.19 37.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.54 -11.46 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.513 2.809 . . . . 10.0 115.022 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -101.16 -26.72 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.997 -0.439 . . . . 10.0 111.199 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -122.77 108.89 13.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -67.0 -40.44 87.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.733 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -153.65 161.62 41.99 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 10.0 110.072 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -150.85 155.12 38.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.998 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 85.9 m-85 -95.89 147.5 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.285 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 2.7 t -113.44 145.11 41.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.37 126.24 35.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.779 0.323 . . . . 10.0 111.395 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.58 129.78 24.91 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.86 131.98 21.33 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.216 2.61 . . . . 10.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.41 150.93 20.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 10.0 110.894 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.389 179.407 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.7 90.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 10.0 110.657 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.1 tt0 -67.99 -37.32 81.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.535 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.0 -42.73 94.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.64 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.77 -41.89 92.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.041 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -70.21 -33.6 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.522 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 74.0 mt -58.46 -38.39 77.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -66.84 -39.03 87.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.111 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.03 -32.01 71.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.111 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -80.51 -43.32 20.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.514 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -69.38 -36.0 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.792 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.07 81.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.605 -0.438 . . . . 10.0 109.881 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 18.1 mm-40 -66.73 -24.01 66.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.162 0.506 . . . . 10.0 109.932 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.32 -47.21 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.718 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.51 91.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.662 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.39 -30.78 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 121' ' ' GLU . 16.4 mt -67.06 -38.3 85.55 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.872 178.078 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tttp . . . . . 0 C--O 1.234 0.269 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.83 -19.47 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.098 -0.376 . . . . 10.0 111.852 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.24 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 10.0 110.787 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.12 -15.79 16.2 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -62.59 -12.59 23.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.076 0.465 . . . . 10.0 111.214 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.74 -18.16 63.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.05 64.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.81 -39.22 76.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.32 -25.82 58.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.97 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.75 -32.02 46.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.79 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -78.87 -46.59 18.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.98 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.6 146.15 40.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 10.0 110.461 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.817 -179.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 121.269 0.557 . . . . 10.0 110.345 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mmt -98.11 168.5 10.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.313 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -56.41 -46.4 80.2 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.518 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.42 -44.55 0.83 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.182 -1.009 . . . . 10.0 113.008 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -3.08 32.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.98 0.39 . . . . 10.0 111.744 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.71 -20.18 3.71 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.835 -0.697 . . . . 10.0 114.198 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -58.48 -43.42 88.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.017 0.408 . . . . 10.0 111.637 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -86.95 16.65 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 10.0 111.568 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -101.58 133.06 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.12 82.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.32 158.72 15.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.284 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -93.67 47.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 10.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 tt -102.33 120.1 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.645 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.24 22.75 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.242 0.544 . . . . 10.0 110.778 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -124.56 152.25 43.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.07 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -100.4 -175.65 2.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.617 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.45 -31.27 68.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.888 0.375 . . . . 10.0 111.484 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -93.94 26.99 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.97 -2.19 8.97 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.002 -1.094 . . . . 10.0 115.786 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.42 130.85 43.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.583 0.692 . . . . 10.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.5 128.73 35.96 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.336 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.98 138.35 47.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 10.0 112.713 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 3.0 tt0 -82.08 142.16 32.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.231 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -68.33 136.69 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.622 0.248 . . . . 10.0 111.41 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -60.36 -52.67 64.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.124 -0.489 . . . . 10.0 112.266 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -78.49 2.77 17.92 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.41 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t -98.35 126.57 43.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.121 0.486 . . . . 10.0 111.002 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.79 94.97 7.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.199 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 p -95.81 156.89 36.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.786 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -36.09 -42.44 0.6 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.874 3.049 . . . . 10.0 112.541 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -78.99 116.73 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.02 147.08 50.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.637 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -144.6 134.25 23.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.199 0.523 . . . . 10.0 110.066 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.53 82.01 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.556 -0.747 . . . . 10.0 113.762 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.25 68.34 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.322 0.561 . . . . 10.0 111.34 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 HG21 ' H ' ' A' ' 45' ' ' SER . 41.5 mm -71.97 124.85 91.46 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.514 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 55.6 Cg_endo -68.5 -13.34 37.18 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 123.237 2.625 . . . . 10.0 113.269 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.481 ' H ' HG21 ' A' ' 43' ' ' ILE . 4.4 m -75.6 -11.62 60.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.639 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -90.84 -47.2 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.216 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.49 82.61 15.66 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.538 0.209 . . . . 10.0 111.35 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -80.22 -6.63 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.812 2.342 . . . . 10.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -84.89 6.51 24.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.466 . . . . 10.0 112.101 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.54 8.69 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.711 0.291 . . . . 10.0 111.117 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.2 t30 53.78 53.55 11.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.847 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.1 mp -80.87 78.36 7.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.871 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -123.13 160.89 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.928 0.394 . . . . 10.0 111.982 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.27 -119.53 1.34 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.004 -0.998 . . . . 10.0 112.33 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -148.88 34.09 0.76 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.69 . . . . 10.0 109.994 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.85 155.07 24.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 39.6 t -80.86 120.23 24.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.741 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -135.43 -179.66 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 10.0 110.767 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.07 85.82 10.71 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.999 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -84.64 0.07 9.16 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.117 1.878 . . . . 10.0 114.818 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.488 ' OD1' ' HD3' ' B' ' 116' ' ' LYS . 10.0 t70 -107.64 -11.16 15.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.0 0.818 . . . . 10.0 112.284 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 82.1 mtm180 72.06 26.02 2.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.984 0.513 . . . . 10.0 111.718 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -71.24 -162.54 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.795 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 mp -52.19 -49.23 64.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.461 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 33.1 ptt180 -169.01 155.01 6.33 Favored Pre-proline 0 N--CA 1.465 0.298 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.13 144.89 8.3 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.676 2.917 . . . . 10.0 114.101 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.461 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 61.7 p-90 -161.81 170.1 20.15 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.218 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.9 p -162.61 168.58 21.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.821 0.344 . . . . 10.0 110.586 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -76.96 155.02 33.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -124.95 144.65 50.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.97 0.414 . . . . 10.0 111.569 -176.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -78.31 27.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.807 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -105.64 119.36 52.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.66 -17.81 30.44 Favored 'Trans proline' 0 N--CA 1.476 0.483 0 C-N-CA 123.171 2.58 . . . . 10.0 113.483 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -97.98 -21.54 16.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.465 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -124.67 103.94 8.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 39.6 mtt180 -57.13 -43.34 82.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.953 0.406 . . . . 10.0 111.137 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -156.03 163.17 40.02 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.223 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -148.44 154.62 40.13 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.523 0.514 . . . . 10.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.46 158.32 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.493 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.7 t -125.34 130.14 51.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.48 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -88.63 116.3 26.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.847 0.356 . . . . 10.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.9 mt -117.96 135.25 23.34 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -50.24 132.35 33.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.179 2.586 . . . . 10.0 113.251 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -102.91 153.46 20.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.052 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.465 0.325 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -36.98 83.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.691 0.282 . . . . 10.0 110.777 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 3.3 tp10 -60.48 -48.16 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.49 -39.1 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -61.5 -42.48 98.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.015 0.436 . . . . 10.0 110.155 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 27.5 mmt180 -66.81 -37.92 85.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.517 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 93.5 mt -57.28 -38.75 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 10.0 110.337 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . 0.488 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 20.2 mtmt -68.4 -36.94 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -61.75 -31.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.404 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 15.5 mm-40 -84.59 -28.7 26.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.17 0.509 . . . . 10.0 109.835 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -73.56 -34.18 65.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.425 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.74 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.578 -0.897 . . . . 10.0 108.578 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 125' ' ' LEU . 18.3 mm-40 -70.96 -22.67 62.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.876 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 23.8 tt0 -78.59 -51.58 9.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.62 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.79 92.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.72 -28.22 61.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' B' ' 121' ' ' GLU . 2.4 mt -72.11 -36.93 69.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.334 -0.105 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.399 178.088 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.1 tttp . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.087 0.402 . . . . 10.0 112.087 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.08 -48.36 76.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 10.0 111.088 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -30.94 58.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.717 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -89.19 -27.76 20.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.04 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -46.75 -36.27 7.06 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.834 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -51.8 -14.33 0.35 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 149' ' ' LEU . 9.1 mp -55.41 -44.14 75.93 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.064 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.74 -51.88 44.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.893 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.83 -45.73 59.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.525 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -73.24 -39.13 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 145' ' ' LEU . 20.1 tp -59.23 96.3 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.552 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.158 179.778 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.878 0.371 . . . . 10.0 110.116 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 mmt -93.64 166.16 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.25 -60.16 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.05 -52.47 0.4 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.126 -1.035 . . . . 10.0 114.037 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.62 -2.78 31.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.631 0.715 . . . . 10.0 112.387 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.87 -22.1 3.63 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.342 -0.932 . . . . 10.0 113.834 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.4 tt0 -58.45 -34.4 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.948 0.374 . . . . 10.0 111.648 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.41 16.14 12.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -99.34 125.29 44.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.31 41.03 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.431 . . . . 10.0 110.252 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.04 160.45 52.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.27 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -87.65 53.95 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.193 0.521 . . . . 10.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.3 tt -102.2 116.46 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.006 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -119.61 5.75 11.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.095 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -111.7 149.58 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.4 p -101.49 169.59 8.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -61.14 -33.26 73.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.339 . . . . 10.0 111.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.06 24.48 2.81 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -3.14 9.02 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.543 0.977 . . . . 10.0 115.543 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.08 128.77 37.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 117.609 0.705 . . . . 10.0 111.626 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -75.92 130.78 39.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.8 t -81.7 125.78 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.239 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.8 142.98 40.1 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.437 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 34' ' ' SER . . . -60.4 137.19 58.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -63.13 -52.31 63.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.804 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.71 -9.8 55.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.408 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -90.8 136.68 32.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.875 0.369 . . . . 10.0 111.884 -178.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.36 82.7 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 m -91.54 155.58 43.83 Favored Pre-proline 0 C--N 1.317 -0.818 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.757 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -31.88 -45.13 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 124.362 3.375 . . . . 10.0 113.601 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 34.1 m170 -86.43 112.31 21.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.42 147.57 39.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.594 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -144.62 143.2 30.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.293 0.568 . . . . 10.0 110.192 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 1.33 81.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.282 -0.872 . . . . 10.0 113.128 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.98 62.68 3.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.194 0.521 . . . . 10.0 111.642 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 ' H ' ' A' ' 45' ' ' SER . 45.5 mm -73.53 126.41 89.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.706 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.61 -22.43 28.42 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.653 2.902 . . . . 10.0 114.075 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.47 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.3 m -68.77 -16.31 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.838 0.352 . . . . 10.0 111.321 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -51.78 7.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.21 79.54 27.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.714 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.74 -8.35 19.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.354 2.036 . . . . 10.0 112.28 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -85.25 -1.39 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.343 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -100.23 4.73 44.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.726 0.298 . . . . 10.0 110.688 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.92 53.82 5.45 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.578 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.88 97.43 7.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.04 151.95 48.54 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 48.04 -112.13 0.45 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.592 -1.186 . . . . 10.0 112.942 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -143.78 32.15 1.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.501 0.667 . . . . 10.0 110.052 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -83.28 157.18 22.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.49 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -87.8 125.22 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.396 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -140.89 177.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.417 ' HB2' ' HG3' ' A' ' 66' ' ' PRO . 47.3 t-20 -120.77 99.32 47.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -89.52 -14.7 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.477 2.118 . . . . 10.0 114.946 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 6.4 t70 -108.52 -13.06 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.595 0.634 . . . . 10.0 112.438 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 20.2 mtm105 73.13 28.0 1.93 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.433 0.635 . . . . 10.0 110.038 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.05 -163.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.818 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.39 -47.35 37.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.403 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 13.8 ptt180 -167.34 157.3 9.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 121.099 -0.24 . . . . 10.0 111.266 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 59' ' ' ASN . 71.6 Cg_exo -51.19 150.71 13.76 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.199 2.599 . . . . 10.0 113.335 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.403 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 16.2 p-90 -154.24 169.61 23.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.476 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.615 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.2 p -153.49 153.1 31.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.82 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.51 155.2 36.36 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 144.81 50.96 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.478 -0.489 . . . . 10.0 111.472 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.44 31.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.445 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.486 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -109.16 115.73 56.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.62 -9.51 2.8 Favored 'Trans proline' 0 N--CA 1.482 0.804 0 C-N-CA 123.649 2.9 . . . . 10.0 114.881 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -105.09 -26.32 12.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.636 0.255 . . . . 10.0 111.187 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -123.3 105.03 9.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.107 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.443 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 60.4 mtt180 -60.89 -42.84 98.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.338 . . . . 10.0 111.558 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -155.09 165.74 35.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.517 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.67 151.43 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 10.0 110.865 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.39 149.68 24.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.789 -0.642 . . . . 10.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -113.6 131.85 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.584 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.53 120.89 32.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.35 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 66' ' ' PRO . 96.1 mt -122.39 132.73 24.22 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.185 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -45.89 129.39 12.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.951 2.434 . . . . 10.0 112.336 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -104.54 155.01 19.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.128 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.151 -179.642 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.637 0.256 . . . . 10.0 111.11 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.63 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.3 tt0 -65.07 -41.39 95.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 30.0 tp -61.93 -40.77 96.64 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.832 0.349 . . . . 10.0 110.296 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.392 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -64.94 -36.27 83.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.284 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 91.4 mt -59.82 -39.8 86.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.917 0.389 . . . . 10.0 110.092 178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -68.85 -40.85 79.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -61.73 -28.61 69.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.323 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.72 -37.17 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -70.83 -33.1 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.898 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.2 81.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.56 -23.24 63.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.285 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.443 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 11.2 tt0 -75.51 -52.81 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.94 85.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -74.12 -27.71 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.77 -34.53 75.71 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--O 1.235 0.338 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.468 177.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.1 tttp . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . 0.541 ' HA ' ' CB ' ' B' ' 144' ' ' ALA . 8.8 mt-10 -85.82 -15.63 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.351 -0.843 . . . . 10.0 111.606 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.16 -68.13 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 115.861 1.8 . . . . 10.0 115.861 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.14 -83.18 0.4 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.72 -17.87 9.77 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.522 1.055 . . . . 10.0 112.845 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' B' ' 143' ' ' LYS . 0.1 OUTLIER -52.71 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -171.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . 0.541 ' CB ' ' HA ' ' B' ' 139' ' ' GLU . . . -46.3 -48.66 18.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . 0.433 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.4 mp -54.51 -31.26 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -81.24 -45.02 16.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.023 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.29 -41.62 60.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.891 0.377 . . . . 10.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.54 -69.76 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.803 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.64 108.54 9.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.134 0.492 . . . . 10.0 111.212 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.635 179.372 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.7 m . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.183 0.516 . . . . 10.0 111.119 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 mmt -91.5 168.09 11.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.184 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -71.21 -48.17 53.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.7 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.39 0.28 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.544 -1.312 . . . . 10.0 113.893 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -100.29 -1.97 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 -10.84 13.89 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.653 -0.784 . . . . 10.0 113.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -34.22 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -98.78 15.05 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 10.0 111.574 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -89.71 125.15 35.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.442 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -112.79 46.0 1.26 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.27 144.65 36.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.627 -0.797 . . . . 10.0 112.73 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.11 59.91 5.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.298 0.57 . . . . 10.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.419 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 m -111.64 1.0 16.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -121.36 156.56 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.765 0.317 . . . . 10.0 110.74 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 p -100.88 -175.83 3.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -70.53 -33.25 70.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.061 0.458 . . . . 10.0 110.749 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.93 24.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.282 0.845 . . . . 10.0 113.282 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.52 -3.34 8.69 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.168 -1.015 . . . . 10.0 115.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.88 126.09 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.291 0.545 . . . . 10.0 111.627 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.79 137.58 39.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.898 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 11.3 t -81.46 131.0 35.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.507 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.42 151.11 42.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.779 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.36 137.28 55.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 10.0 110.845 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.51 -52.54 57.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.28 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.8 -5.6 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -92.68 135.25 34.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.892 0.377 . . . . 10.0 111.203 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.68 93.01 4.82 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 m -92.36 155.62 42.31 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.318 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.8 -36.19 4.9 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.653 2.902 . . . . 10.0 112.235 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -85.75 112.68 21.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.71 143.59 54.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.676 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -144.99 139.26 27.36 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.145 0.498 . . . . 10.0 110.232 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.27 0.62 72.0 Favored Glycine 0 C--N 1.321 -0.301 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.585 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.01 62.58 3.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.106 0.479 . . . . 10.0 111.63 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mm -73.33 128.49 87.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.206 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.16 -27.84 48.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.5 2.8 . . . . 10.0 113.391 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -22.82 67.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.819 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -79.03 -52.01 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.736 0.303 . . . . 10.0 111.417 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' B' ' 112' ' ' LEU . 4.1 m-85 -122.05 79.39 42.63 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 10.0 110.381 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.55 -7.88 17.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.981 2.454 . . . . 10.0 112.107 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -79.21 -1.04 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.235 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -106.9 5.67 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 10.0 110.592 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.6 t30 55.53 55.79 6.92 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.815 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.03 93.12 6.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -128.37 151.76 48.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.887 0.375 . . . . 10.0 111.889 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 54.09 -111.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.287 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -150.05 36.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 10.0 110.245 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -80.62 154.66 27.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -76.2 120.32 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -125.74 176.36 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.326 0.584 . . . . 10.0 111.756 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -143.38 88.21 8.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.21 -7.69 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.383 2.055 . . . . 10.0 115.348 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' CG ' ' HZ3' ' B' ' 116' ' ' LYS . 18.0 t70 -109.53 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.702 0.683 . . . . 10.0 112.048 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 76.9 mtm180 75.58 31.31 0.75 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 10.0 110.344 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -70.81 -164.7 0.1 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.294 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.62 -48.89 68.88 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.52 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -163.85 153.2 12.26 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.899 -0.321 . . . . 10.0 111.443 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.15 150.17 10.94 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.24 2.627 . . . . 10.0 113.049 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.476 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 35.0 p-90 -159.29 171.71 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.42 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.574 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.8 p -159.91 166.01 31.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.903 0.382 . . . . 10.0 111.383 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.67 155.56 25.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.35 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.54 143.66 49.58 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.56 -0.456 . . . . 10.0 111.778 -176.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 p -77.25 31.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.603 . . . . 10.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.8 120.93 33.51 Favored Pre-proline 0 C--N 1.321 -0.665 0 O-C-N 122.204 -0.31 . . . . 10.0 110.496 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.9 -12.99 7.88 Favored 'Trans proline' 0 N--CA 1.477 0.507 0 C-N-CA 123.317 2.678 . . . . 10.0 114.276 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -95.84 -26.38 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.114 -0.366 . . . . 10.0 111.278 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.2 105.44 9.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.035 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.64 -40.99 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 10.0 110.375 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -157.12 168.82 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -154.73 155.51 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.508 0.505 . . . . 10.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -90.41 141.02 29.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 132.94 51.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 10.0 110.133 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.52 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 38.2 t70 -87.22 117.1 25.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.488 0.661 . . . . 10.0 111.654 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.73 133.62 24.55 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.575 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.61 134.48 27.09 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.438 2.758 . . . . 10.0 113.093 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -100.74 155.01 18.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.482 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.877 0.37 . . . . 10.0 110.534 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.56 95.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.389 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 22.7 tt0 -67.06 -42.27 85.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.283 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.459 HD13 ' CE2' ' A' ' 47' ' ' PHE . 18.4 tp -61.13 -39.66 90.9 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.3 90.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.836 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' B' ' 114' ' ' ARG . 23.7 mmt180 -63.56 -38.62 91.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.958 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 96.3 mt -57.38 -37.74 73.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 10.0 110.009 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . 0.476 ' HZ3' ' CG ' ' A' ' 61' ' ' ASP . 37.1 mtmt -70.99 -37.44 72.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.856 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.21 -32.87 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.35 0.595 . . . . 10.0 109.771 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -76.45 -37.99 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.815 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -65.25 -39.37 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.473 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -35.37 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -26.58 61.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -81.03 -48.3 12.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.009 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.29 88.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.759 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.22 -26.47 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.823 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.25 -35.53 61.39 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.234 0.252 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.839 177.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.55 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 10.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -91.51 -16.15 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.796 0.808 . . . . 10.0 110.391 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 -5.57 52.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.505 -1.225 . . . . 10.0 113.521 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.441 ' HG3' ' H ' ' B' ' 143' ' ' LYS . 0.0 OUTLIER -46.93 -61.85 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -173.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . 0.441 ' H ' ' HG3' ' B' ' 142' ' ' ARG . 7.1 tmtt? 72.38 -62.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.61 0.364 . . . . 10.0 111.334 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.6 70.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.137 0.494 . . . . 10.0 111.71 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 7.4 mp -68.14 -24.56 65.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.71 -12.7 57.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.758 0.79 . . . . 10.0 109.2 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -93.97 -44.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.99 -1.004 . . . . 10.0 108.662 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -54.37 -44.16 71.99 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.822 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.34 113.98 0.93 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.195 0.521 . . . . 10.0 111.703 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.228 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.236 0.342 0 CA-C-O 121.388 0.613 . . . . 10.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 14.7 mmt -97.14 166.63 11.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.262 -0.881 . . . . 10.0 112.241 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.161 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.03 -48.68 0.62 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.678 -1.248 . . . . 10.0 113.935 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 -5.63 24.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.611 0.706 . . . . 10.0 112.531 -177.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.69 -6.59 45.95 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.314 -0.946 . . . . 10.0 113.201 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.79 -32.6 70.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.776 0.322 . . . . 10.0 111.64 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.78 16.15 26.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -88.28 119.66 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.443 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.75 67.91 1.1 Allowed 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.23 161.89 29.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.537 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.43 34.49 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.4 0.619 . . . . 10.0 110.36 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 tt -87.28 120.96 37.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.128 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 8.14 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.759 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -123.59 152.96 41.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.526 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -97.13 -178.78 4.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -75.87 -25.41 56.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.66 -0.416 . . . . 10.0 110.038 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -90.68 25.23 2.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.33 -8.36 2.94 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.64 130.41 42.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.697 0.749 . . . . 10.0 111.664 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -77.25 128.17 33.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.4 t -68.27 139.98 55.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.683 0.754 . . . . 10.0 112.499 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -81.7 144.05 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.467 -1.242 . . . . 10.0 110.389 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 55' ' ' ASN . . . -68.86 133.3 48.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.424 0.63 . . . . 10.0 112.051 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -67.26 -52.22 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.343 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.25 -3.61 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.0 m -101.33 143.94 30.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.801 0.334 . . . . 10.0 111.655 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -81.38 139.04 35.54 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.771 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -147.19 154.24 45.85 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.433 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -41.52 -33.99 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.217 2.611 . . . . 10.0 112.248 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -86.98 98.8 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.43 149.84 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.892 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -147.53 135.36 21.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 10.0 110.742 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.81 -1.24 80.41 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -89.83 67.1 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.285 0.564 . . . . 10.0 110.62 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.1 mm -72.48 126.8 90.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.475 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 50.3 Cg_exo -57.5 -30.28 87.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.508 2.805 . . . . 10.0 113.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -17.36 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.551 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HE2' ' OE1' ' B' ' 111' ' ' GLU . 12.2 mptt -84.35 -50.11 8.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -116.21 83.12 12.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 10.0 111.341 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.41 -8.09 14.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.168 1.912 . . . . 10.0 111.961 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.62 -7.83 59.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.503 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 65.0 mmtt -102.4 4.96 39.44 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.134 -0.226 . . . . 10.0 111.325 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.33 54.19 7.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.605 0.717 . . . . 10.0 111.144 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.2 mp -81.03 93.06 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.434 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.13 151.61 49.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.136 0.493 . . . . 10.0 112.314 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 50.74 -107.6 0.3 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.645 -1.161 . . . . 10.0 111.761 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.437 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 26.9 p-10 -152.37 36.42 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.486 0.66 . . . . 10.0 109.515 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -79.31 150.64 31.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.99 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.7 t -82.74 120.39 25.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.713 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -139.31 176.41 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -113.16 89.91 15.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.58 -26.29 2.16 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.243 1.962 . . . . 10.0 114.566 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.49 -6.89 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.034 -0.416 . . . . 10.0 111.205 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 66.08 30.75 9.33 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.613 0.72 . . . . 10.0 109.588 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.0 -157.9 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.952 -1.022 . . . . 10.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.94 -47.59 32.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.377 0.88 . . . . 10.0 113.377 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HG3' ' CD2' ' A' ' 79' ' ' TYR . 22.3 ptt180 -170.58 163.73 5.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 121.183 -0.207 . . . . 10.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -52.58 149.53 24.02 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.919 2.413 . . . . 10.0 113.613 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -159.58 171.0 20.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.95 -1.023 . . . . 10.0 109.259 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.583 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.7 p -161.39 164.94 29.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.86 0.362 . . . . 10.0 110.999 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -78.06 156.74 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.921 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -122.4 142.46 50.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.942 0.401 . . . . 10.0 111.405 -177.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.6 28.72 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.543 . . . . 10.0 111.364 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -112.07 125.79 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.788 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.31 -11.09 14.98 Favored 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.052 2.501 . . . . 10.0 114.329 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.57 -52.12 5.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 10.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.99 126.12 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.62 0.247 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -70.96 -36.85 72.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 10.0 110.384 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -155.65 160.3 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.036 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.13 155.96 43.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.05 0.452 . . . . 10.0 111.495 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.418 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 5.6 m-85 -88.48 158.92 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.088 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.32 133.31 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.96 119.37 28.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 10.0 110.651 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.81 138.2 30.93 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.975 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -50.4 127.2 19.61 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.075 2.516 . . . . 10.0 112.331 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -99.37 151.79 20.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.89 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' MET . 5.3 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.744 0.307 . . . . 10.0 111.816 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.66 88.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.591 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 44.5 tt0 -67.71 -40.82 84.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.84 -42.36 89.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.902 0.382 . . . . 10.0 110.905 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.91 -42.56 89.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 17.3 mmt180 -67.93 -36.63 80.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.786 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 84.9 mt -58.97 -42.59 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.895 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.23 -39.68 93.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.567 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.34 -30.87 69.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.591 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.66 -35.05 19.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' B' ' 122' ' ' GLU . 32.9 ttp85 -72.73 -33.56 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.695 0.283 . . . . 10.0 110.744 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -43.08 85.91 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.27 -20.33 64.77 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 121.194 0.521 . . . . 10.0 109.884 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 119' ' ' ARG . 40.3 tt0 -77.19 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.892 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.32 86.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.81 -27.59 65.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.728 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.66 -33.42 53.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.248 177.82 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.1 tttp . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -87.54 -31.19 20.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.912 0.387 . . . . 10.0 109.958 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.81 70.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.399 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -44.77 -9.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.296 1.591 . . . . 10.0 115.296 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' B' ' 144' ' ' ALA . 0.0 OUTLIER -49.05 -17.32 0.2 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.309 0.504 . . . . 10.0 111.892 179.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . 0.488 ' O ' ' HE2' ' B' ' 143' ' ' LYS . 3.2 ttpt -83.9 36.34 0.55 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' B' ' 142' ' ' ARG . . . -78.55 -43.14 27.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.06 . . . . 10.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . 0.425 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.0 mp -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.255 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.47 -54.32 11.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.08 -46.2 68.5 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.726 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -69.53 -59.16 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.404 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 68.3 mt -84.41 50.9 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.935 0.397 . . . . 10.0 110.902 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.107 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.285 0.564 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.0 mmt -95.95 168.93 10.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.605 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -64.76 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.403 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.4 -63.55 0.19 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.694 -1.241 . . . . 10.0 114.496 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -101.05 -1.98 32.78 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.517 0.659 . . . . 10.0 112.595 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.63 0.9 75.3 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.389 -0.91 . . . . 10.0 113.799 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.04 -26.86 64.95 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.797 0.332 . . . . 10.0 111.876 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -118.1 20.72 13.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -82.68 118.48 23.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.447 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.86 77.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.67 160.21 14.1 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.254 -0.974 . . . . 10.0 113.025 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -84.43 53.33 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 10.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 tt -99.29 114.92 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.279 -0.873 . . . . 10.0 109.796 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.11 0.87 15.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.586 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -120.69 158.51 27.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.447 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -99.0 172.1 7.62 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -64.01 -27.09 68.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.969 0.414 . . . . 10.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 24.99 2.09 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 -8.98 2.89 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 116.4 1.32 . . . . 10.0 116.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 mt -74.08 132.51 42.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.971 0.886 . . . . 10.0 112.036 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -75.2 132.32 41.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.284 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.729 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 35.9 t -70.76 142.1 51.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.535 0.683 . . . . 10.0 112.67 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -84.01 142.29 30.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.731 -1.122 . . . . 10.0 108.893 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.51 138.93 49.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 10.0 112.382 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -60.2 -51.37 69.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.02 -6.51 54.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.272 0.842 . . . . 10.0 113.272 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.8 m -87.41 135.35 33.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.512 -0.475 . . . . 10.0 112.003 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -91.65 84.25 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 10.0 109.138 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.59 154.8 42.45 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.622 -1.172 . . . . 10.0 109.627 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -38.62 -31.42 0.23 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.489 2.793 . . . . 10.0 112.801 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.93 96.94 9.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 148.9 51.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.45 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -152.03 150.59 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.044 0.45 . . . . 10.0 111.252 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.91 0.82 62.84 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.468 -0.787 . . . . 10.0 113.367 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -84.99 62.03 7.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 10.0 111.748 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.0 mm -73.96 126.69 89.16 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.65 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.36 -21.44 53.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.135 2.557 . . . . 10.0 113.289 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -70.59 -11.84 61.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.266 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.69 -55.0 3.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.926 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -120.09 82.45 29.67 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 120.735 0.302 . . . . 10.0 111.358 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -3.47 13.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.347 2.031 . . . . 10.0 111.932 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -76.67 -12.64 60.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.845 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -102.07 7.83 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.879 -0.329 . . . . 10.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t30 54.51 63.54 2.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.955 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.83 63.57 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.22 150.66 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 49.72 -113.31 0.62 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.372 -1.285 . . . . 10.0 112.469 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -146.5 33.43 0.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.792 0.806 . . . . 10.0 109.599 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -79.68 152.36 29.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.44 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -81.0 121.72 26.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -134.98 177.21 7.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.057 0.456 . . . . 10.0 110.628 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 62' ' ' ARG . 27.3 t-20 -121.13 95.63 48.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -86.99 -28.2 0.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.675 2.25 . . . . 10.0 115.842 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HA ' HD23 ' B' ' 112' ' ' LEU . 1.6 m-20 -96.69 -1.11 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.614 0.643 . . . . 10.0 112.556 -177.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 16.2 mtm180 66.54 32.81 7.04 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.419 0.628 . . . . 10.0 109.889 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.66 -160.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.031 -0.986 . . . . 10.0 112.111 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -51.52 -47.94 63.16 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -166.8 159.34 11.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.844 -0.343 . . . . 10.0 111.788 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.32 149.86 27.92 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.752 2.302 . . . . 10.0 112.663 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -157.18 173.25 17.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.729 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -162.65 162.21 26.89 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.396 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -76.31 155.26 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.518 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.07 142.59 50.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.996 0.427 . . . . 10.0 111.786 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -81.01 38.16 0.46 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.564 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.38 134.75 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.158 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.04 -9.11 25.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.897 2.398 . . . . 10.0 113.561 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.55 -41.85 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.82 0.304 . . . . 10.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 129.59 53.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 10.0 110.95 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -75.36 -35.12 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.703 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -154.14 165.8 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -148.53 155.87 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.7 148.88 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.48 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.04 139.45 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.75 121.78 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 10.0 111.389 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.04 137.72 24.77 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.96 128.86 11.84 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.137 2.558 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -100.12 153.76 18.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.826 0.346 . . . . 10.0 110.673 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 9' ' ' MET . 6.2 t . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.52 86.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.889 0.376 . . . . 10.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.87 -48.34 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.596 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 61' ' ' ASP . 18.4 tp -61.73 -41.78 98.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.037 0.446 . . . . 10.0 110.34 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -61.6 -44.85 96.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -70.95 -36.27 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.275 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.34 -40.19 85.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 10.0 109.543 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -66.52 -39.33 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.38 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.414 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.24 -41.16 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 mtm105 -67.72 -32.53 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.919 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -60.45 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -65.12 -23.61 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.622 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.3 OUTLIER -83.8 -42.21 16.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.359 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.29 95.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.951 0.405 . . . . 10.0 110.516 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.21 -25.37 64.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.344 0.593 . . . . 10.0 109.565 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -34.02 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.647 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 5.4 mm-40 . . . . . 0 C--N 1.332 -0.187 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tttp . . . . . 0 C--O 1.231 0.131 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.34 -26.55 63.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.689 0.28 . . . . 10.0 111.23 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.04 84.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -16.6 3.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -64.5 -12.45 44.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.412 0.625 . . . . 10.0 110.292 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -73.99 87.38 1.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.895 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.53 -17.89 43.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.756 -0.656 . . . . 10.0 112.19 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.24 -53.16 60.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.718 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.61 -30.14 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.473 0.654 . . . . 10.0 110.53 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -61.09 2.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.991 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -63.82 -48.0 78.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.214 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.07 77.03 2.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.021 0.439 . . . . 10.0 110.806 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.363 179.687 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.974 0.416 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 23.1 mmt -93.74 168.23 11.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.566 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -61.1 -56.44 20.84 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.873 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.23 -50.79 0.49 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 119.837 -1.173 . . . . 10.0 113.92 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -9.44 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.646 0.723 . . . . 10.0 112.882 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.53 36.1 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.442 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.78 -32.9 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 10.0 111.588 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -100.32 18.43 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.723 0.297 . . . . 10.0 111.588 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -97.41 128.38 44.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.726 0.298 . . . . 10.0 111.083 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -126.23 71.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.12 165.17 20.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.666 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -94.54 44.06 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.071 0.462 . . . . 10.0 110.669 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -94.53 118.87 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.09 8.06 12.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.218 0.532 . . . . 10.0 110.733 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -115.11 148.24 39.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.064 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 p -100.26 -174.08 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.77 62.04 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.52 -0.472 . . . . 10.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 m -91.94 24.91 3.0 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.02 -7.22 3.29 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.918 -1.134 . . . . 10.0 115.599 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 mt -68.36 129.05 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.631 0.716 . . . . 10.0 111.351 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -80.39 132.21 35.73 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 38.9 t -70.13 134.05 47.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.448 -0.796 . . . . 10.0 112.626 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.096 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.2 129.77 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 10.0 110.381 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.81 -51.86 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.95 -7.88 44.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -104.1 134.76 46.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 10.0 111.521 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -87.07 101.2 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.023 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -91.48 159.16 39.53 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.359 -0.837 . . . . 10.0 109.138 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -36.23 -31.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.42 2.746 . . . . 10.0 112.904 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -90.55 113.66 25.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.91 145.44 51.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.677 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -141.42 138.41 32.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.306 0.574 . . . . 10.0 110.407 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.2 -1.16 76.02 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 115.28 -0.873 . . . . 10.0 113.616 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.43 67.05 6.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.59 . . . . 10.0 111.169 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.429 HG21 ' H ' ' A' ' 45' ' ' SER . 38.1 mm -72.59 125.27 91.35 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.756 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.2 -27.65 81.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.116 2.544 . . . . 10.0 113.302 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.429 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -69.88 -14.11 62.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.512 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HZ1' ' CD ' ' B' ' 111' ' ' GLU . 25.5 mmtp -86.28 -48.04 8.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.388 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.6 74.13 62.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.42 -5.97 15.24 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.558 2.172 . . . . 10.0 112.189 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -79.84 -0.98 36.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.718 . . . . 10.0 111.661 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -106.24 6.47 30.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t30 62.73 48.09 4.37 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.478 0.656 . . . . 10.0 111.416 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tp -81.23 83.78 6.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.413 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -122.87 158.61 29.96 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.031 0.443 . . . . 10.0 111.986 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt 53.63 -117.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.288 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -150.28 36.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.673 0.749 . . . . 10.0 109.828 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -86.0 157.71 20.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.735 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.2 t -85.41 120.87 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.012 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -135.56 172.71 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.995 0.426 . . . . 10.0 110.929 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -125.15 86.49 56.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.67 -7.13 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.856 2.371 . . . . 10.0 114.215 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' B' ' 112' ' ' LEU . 6.5 t70 -105.83 -11.17 16.33 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 47.3 mtm105 72.98 21.94 3.11 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.997 0.519 . . . . 10.0 111.515 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.6 p-10 -69.88 -173.7 0.66 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.979 0.418 . . . . 10.0 111.368 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mp -48.49 -47.66 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.784 1.031 . . . . 10.0 113.784 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -157.08 148.3 16.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.479 -0.488 . . . . 10.0 112.209 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.65 149.17 19.4 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.243 2.629 . . . . 10.0 112.723 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -157.6 172.44 18.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.743 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.626 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 12.5 p -161.15 163.33 31.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.634 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.7 154.8 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.455 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.65 140.73 52.52 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.002 0.429 . . . . 10.0 110.608 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.98 39.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.654 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.65 123.93 29.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.4 -15.12 28.15 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.098 2.532 . . . . 10.0 114.251 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -101.97 -26.42 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.841 0.353 . . . . 10.0 111.503 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -122.92 107.75 12.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.339 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' CZ ' ' HG3' ' B' ' 122' ' ' GLU . 50.0 mtm180 -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -152.51 158.55 42.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -146.46 152.12 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.645 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.69 154.25 26.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.013 0.435 . . . . 10.0 110.672 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.68 126.4 50.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.79 120.69 29.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.103 0.478 . . . . 10.0 110.92 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.82 134.67 25.86 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.373 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -44.34 126.93 7.02 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.468 2.779 . . . . 10.0 113.38 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -93.34 149.27 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.624 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' MET . 15.5 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.137 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 120.889 0.376 . . . . 10.0 111.308 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.47 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . 0.42 ' CD ' ' HZ1' ' A' ' 46' ' ' LYS . 25.6 tt0 -67.63 -39.42 84.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.311 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 61' ' ' ASP . 17.6 tp -66.81 -42.05 86.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -64.14 -43.81 94.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.23 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 36.6 mmt-85 -63.71 -37.74 88.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.447 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.33 -36.6 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 10.0 110.13 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -38.94 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.826 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.37 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.259 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 3.9 mm-40 -78.96 -39.92 33.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.921 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' B' ' 119' ' ' ARG . 1.1 mtm105 -73.4 -33.38 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.188 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.23 -19.32 63.94 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.623 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -81.91 -49.49 10.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.764 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' B' ' 122' ' ' GLU . . . -62.22 -41.16 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.1 -20.55 60.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.36 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.35 -28.68 42.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 4.9 mm-40 . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.653 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? . . . . . 0 N--CA 1.463 0.214 0 N-CA-C 106.518 -1.66 . . . . 10.0 106.518 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -83.7 -10.98 57.79 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 118.117 2.636 . . . . 10.0 118.117 -174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -98.45 -92.54 0.25 Allowed 'General case' 0 C--N 1.351 0.637 1 C-N-CA 109.48 -4.888 . . . . 10.0 111.661 -175.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -106.98 -81.65 0.55 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 118.158 -1.417 . . . . 10.0 112.336 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -109.3 -57.22 2.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 122.632 1.206 . . . . 10.0 109.782 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.91 153.05 21.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 112.733 -2.03 . . . . 10.0 108.843 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -99.81 1.97 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.198 0.523 . . . . 10.0 110.566 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.28 -21.97 65.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.816 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -107.56 -26.51 10.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.726 0.298 . . . . 10.0 111.277 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.2 -63.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.894 0.378 . . . . 10.0 111.508 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.65 -61.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.75 -175.99 3.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.011 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.463 0.649 . . . . 10.0 111.408 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.86 168.59 10.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.931 -1.031 . . . . 10.0 110.506 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -61.4 -50.32 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.601 0.239 . . . . 10.0 110.729 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.22 -52.23 0.47 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.51 -1.328 . . . . 10.0 114.517 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 p -101.53 -4.83 26.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.723 0.762 . . . . 10.0 112.905 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.94 -6.72 47.15 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.914 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.34 -29.72 64.22 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.092 0.404 . . . . 10.0 112.092 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.96 20.73 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.457 . . . . 10.0 111.185 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -83.4 119.96 25.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -120.78 69.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.78 170.07 23.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.427 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -101.11 38.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.549 . . . . 10.0 110.718 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 tt -90.37 120.68 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.803 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -121.82 13.11 10.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.404 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -129.1 150.95 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.172 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -94.46 -170.6 2.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.671 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.06 -24.57 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.605 -0.438 . . . . 10.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -94.67 25.39 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.51 -0.76 16.8 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.173 -1.013 . . . . 10.0 115.351 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.15 126.12 27.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.437 0.619 . . . . 10.0 111.458 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.91 129.52 34.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.295 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 44.5 t -73.86 134.75 43.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.588 0.709 . . . . 10.0 112.804 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.95 142.39 40.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.513 -1.221 . . . . 10.0 109.882 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.19 129.91 41.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 10.0 110.593 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.03 -51.84 67.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.492 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.3 6.25 10.43 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 t -100.65 133.15 45.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 10.0 111.111 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -81.26 92.29 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.701 0.762 . . . . 10.0 109.759 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 155.65 41.43 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.86 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -43.73 -27.88 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 123.465 2.776 . . . . 10.0 112.328 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -90.85 107.17 19.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.72 146.65 54.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.772 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -145.74 142.6 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.5 0.667 . . . . 10.0 110.829 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.92 4.67 71.9 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.114 -0.948 . . . . 10.0 113.92 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.1 63.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.345 0.573 . . . . 10.0 111.855 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.54 129.59 85.27 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.274 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.08 -24.37 32.59 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.489 2.792 . . . . 10.0 113.997 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -68.77 -9.47 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.586 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -89.91 -53.2 4.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.231 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -121.16 84.83 40.67 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-O 120.795 0.331 . . . . 10.0 111.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.46 -8.33 14.93 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.385 2.057 . . . . 10.0 112.221 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -76.06 -12.66 60.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.779 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.03 -2.81 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.701 0.286 . . . . 10.0 110.847 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t30 63.31 58.96 1.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.86 89.63 5.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.685 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.0 153.92 46.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.087 0.47 . . . . 10.0 112.083 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 56.7 -118.43 1.17 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.069 -0.969 . . . . 10.0 112.615 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -148.24 35.96 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.693 0.758 . . . . 10.0 109.686 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -82.49 154.45 25.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.967 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.05 120.3 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.845 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -136.23 167.13 21.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 10.0 111.134 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -112.2 97.31 38.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -92.32 -15.25 1.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.635 2.223 . . . . 10.0 115.284 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.583 ' OD2' ' HG ' ' B' ' 112' ' ' LEU . 14.7 t70 -103.41 -10.97 18.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.718 0.69 . . . . 10.0 112.59 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 60.5 mtm180 74.25 21.98 2.34 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.599 0.714 . . . . 10.0 109.207 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.79 -161.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.345 -1.298 . . . . 10.0 111.993 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.78 -48.33 41.17 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.567 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 11.6 ptp180 -168.63 163.3 8.19 Favored Pre-proline 0 C--N 1.323 -0.545 0 C-N-CA 120.714 -0.394 . . . . 10.0 111.376 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.93 147.38 33.14 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.571 2.181 . . . . 10.0 112.543 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . 0.4 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 49.9 p-90 -154.33 167.02 31.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.234 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 5.9 p -157.44 163.39 38.56 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.864 0.364 . . . . 10.0 110.851 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -78.39 155.61 29.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.436 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 149.09 51.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.138 0.494 . . . . 10.0 111.785 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -79.5 27.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.133 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.45 119.7 47.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.98 -16.08 8.46 Favored 'Trans proline' 0 N--CA 1.481 0.746 0 C-N-CA 123.784 2.989 . . . . 10.0 115.087 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -104.18 -22.45 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.134 -0.354 . . . . 10.0 111.277 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -122.44 96.36 5.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -65.17 -37.27 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.229 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -156.41 163.25 39.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.342 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -154.79 161.69 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.403 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HB3' ' HD2' ' A' ' 65' ' ' ARG . 76.5 m-85 -90.65 139.89 30.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.104 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.5 136.76 45.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.772 0.32 . . . . 10.0 110.236 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.567 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.3 t70 -88.35 113.86 24.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 10.0 111.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mt -124.99 133.03 24.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.465 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.22 129.72 6.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.567 2.844 . . . . 10.0 114.304 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -102.64 154.25 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.204 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 10.0 111.054 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.53 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 10.0 111.107 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -41.71 79.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.523 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . 0.583 ' HG ' ' OD2' ' A' ' 61' ' ' ASP . 10.3 tp -67.49 -35.06 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.728 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.02 -41.68 81.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 21.4 mmt180 -67.69 -36.4 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.243 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.74 -33.21 74.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.479 0.657 . . . . 10.0 109.612 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 36.2 tttt -66.5 -39.08 88.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.903 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -69.66 -23.71 63.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.075 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 23.2 mm-40 -78.38 -45.84 21.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.078 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -70.69 -34.53 72.07 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.395 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' B' ' 116' ' ' LYS . 0.0 OUTLIER -61.31 -49.3 77.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.998 179.343 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.23 -19.92 62.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 10.0 110.199 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -77.13 -52.53 9.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.579 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.65 88.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.194 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 120' ' ' HIS . 3.3 mt-10 -72.4 -23.48 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.692 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.69 -38.41 54.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.518 178.236 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 121.188 0.518 . . . . 10.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.52 -42.76 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.268 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' B' ' 143' ' ' LYS . . . -82.22 -48.67 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.564 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -48.96 61.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -49.92 -12.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.606 1.335 . . . . 10.0 114.606 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 140' ' ' ALA . 1.7 pttp -47.9 -19.35 0.23 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.51 54.29 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.678 0.275 . . . . 10.0 110.726 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.36 -38.71 69.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.841 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -40.29 93.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.306 0.574 . . . . 10.0 109.937 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.26 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.878 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -77.85 -11.06 59.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.589 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 27.3 mt -76.61 -10.74 59.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.394 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.717 0.294 . . . . 10.0 110.854 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.561 0.696 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.07 168.98 10.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.287 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -69.02 -50.36 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.54 -58.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 119.533 -1.318 . . . . 10.0 114.592 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -101.11 -2.04 32.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.466 0.633 . . . . 10.0 112.271 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.5 23.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.596 -0.812 . . . . 10.0 113.803 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.2 tt0 -61.42 -39.96 92.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 10.0 111.446 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -92.64 17.78 9.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.996 0.426 . . . . 10.0 111.113 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -99.86 131.87 45.57 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -128.25 78.27 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.77 14.57 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.673 -0.775 . . . . 10.0 112.745 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -86.34 47.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.187 0.518 . . . . 10.0 111.035 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tt -96.48 113.06 29.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 2.31 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.186 0.517 . . . . 10.0 110.737 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -113.29 149.28 34.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.701 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 34.4 p -98.03 176.28 5.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.92 -30.31 70.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.889 0.376 . . . . 10.0 110.513 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -89.82 24.73 2.28 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.8 -4.09 8.19 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.968 1.147 . . . . 10.0 115.968 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.64 128.92 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.757 0.778 . . . . 10.0 111.772 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.1 136.35 44.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.376 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.7 t -71.17 140.01 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.736 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -76.19 147.97 38.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.729 -1.123 . . . . 10.0 109.974 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.0 132.67 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 10.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -70.29 -53.43 16.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -71.24 -14.61 62.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -97.32 130.27 44.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.969 0.414 . . . . 10.0 111.62 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.79 110.29 15.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.381 0.61 . . . . 10.0 109.677 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 155.92 42.96 Favored Pre-proline 0 C--N 1.313 -0.997 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.819 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -32.63 -43.78 0.19 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 124.305 3.337 . . . . 10.0 113.414 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -80.65 104.3 11.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 144.09 57.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.204 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.18 142.52 30.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 110.275 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.22 1.82 65.07 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-N 115.485 -0.779 . . . . 10.0 113.323 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.85 64.02 3.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.127 0.489 . . . . 10.0 112.03 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mm -74.03 129.6 84.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.338 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.61 -28.96 68.05 Favored 'Trans proline' 0 N--CA 1.482 0.813 0 C-N-CA 123.669 2.912 . . . . 10.0 113.848 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -10.66 39.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.059 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -87.73 -54.38 4.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.794 -0.184 . . . . 10.0 111.274 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -122.0 84.3 44.87 Favored Pre-proline 0 C--O 1.234 0.283 0 CA-C-O 120.8 0.333 . . . . 10.0 111.039 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.67 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.596 2.198 . . . . 10.0 112.276 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.98 -10.77 59.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.373 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -103.02 2.57 35.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.702 0.287 . . . . 10.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.61 62.1 2.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.793 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.29 91.61 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.89 149.44 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 55.01 -110.16 0.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.873 -1.058 . . . . 10.0 112.609 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -151.27 36.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.595 0.712 . . . . 10.0 109.6 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -79.84 151.55 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.5 t -84.68 127.76 34.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.492 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.62 173.86 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.888 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.484 HD22 ' CG ' ' A' ' 63' ' ' ASP . 10.8 t-20 -119.85 94.94 48.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 121.056 0.455 . . . . 10.0 110.219 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.38 -8.2 1.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.598 2.199 . . . . 10.0 114.103 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.25 -6.74 27.51 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.948 -0.47 . . . . 10.0 112.211 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 68.89 22.83 6.99 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 10.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.484 ' CG ' HD22 ' A' ' 59' ' ' ASN . 4.3 p30 -75.07 -158.13 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.337 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.36 -47.94 80.32 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -170.94 159.4 5.47 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 112.094 0.405 . . . . 10.0 112.094 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -45.28 142.79 5.86 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.903 3.069 . . . . 10.0 114.728 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -157.84 168.91 25.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.426 -1.261 . . . . 10.0 108.162 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.0 p -163.19 163.31 25.62 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.643 -0.423 . . . . 10.0 111.552 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -76.82 156.18 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.206 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.14 146.08 50.52 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.676 -0.409 . . . . 10.0 111.042 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -79.34 36.89 0.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 10.0 112.068 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 127.85 26.43 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.65 -13.99 33.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.012 2.475 . . . . 10.0 114.217 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -99.84 -26.6 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.165 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -123.25 106.37 10.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.694 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 10.0 110.547 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -153.17 163.83 39.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.077 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.65 166.56 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 10.0 111.695 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.38 146.31 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.092 -0.958 . . . . 10.0 111.536 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 3.4 m -117.1 129.51 56.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.738 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.47 117.7 26.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 10.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -121.56 130.08 24.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.211 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -47.63 135.68 21.55 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.273 2.649 . . . . 10.0 113.347 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -98.28 154.55 17.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.142 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.002 -179.839 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.779 0.323 . . . . 10.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.74 81.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 10.0 110.502 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -52.67 63.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.173 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.87 -38.82 92.4 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.516 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.369 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.94 -37.15 83.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' B' ' 119' ' ' ARG . 51.3 mt -59.62 -39.14 83.3 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -61.82 -40.91 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.204 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -65.88 -29.3 69.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.555 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.25 -41.26 57.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' B' ' 115' ' ' LEU . 3.1 mtm105 -66.53 -28.98 68.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.92 -49.76 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.543 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -67.81 -20.37 65.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 36.5 tt0 -77.75 -50.56 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.23 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.829 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.48 -27.56 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.237 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.44 -37.82 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 6.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.323 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.7 -41.02 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.354 -0.216 . . . . 10.0 111.288 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.0 -45.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.758 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -15.71 61.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.662 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -89.14 -39.79 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -43.23 -48.17 6.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 114.991 -1.004 . . . . 10.0 112.268 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.5 60.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.38 -34.59 70.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 10.0 110.745 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.38 -27.82 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.915 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.61 -45.08 17.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.03 -66.15 0.57 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 10.0 111.035 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.88 70.94 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.221 0.534 . . . . 10.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.316 179.774 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.813 0.34 . . . . 10.0 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -93.99 -164.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.059 -0.348 . . . . 10.0 110.059 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -65.05 -40.99 95.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.899 0.381 . . . . 10.0 110.396 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -121.3 93.39 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -161.97 119.53 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 110.973 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -116.76 60.78 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.166 0.508 . . . . 10.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -70.71 150.75 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.778 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.6 m -109.18 127.36 54.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.28 0.562 . . . . 10.0 111.534 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.546 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.4 mmt -99.93 169.14 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -69.78 -53.55 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.215 -0.194 . . . . 10.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.19 -57.92 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 119.115 -1.517 . . . . 10.0 115.038 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -2.79 28.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.816 0.808 . . . . 10.0 112.946 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.98 2.26 29.91 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.618 -0.801 . . . . 10.0 112.915 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -66.18 -29.67 70.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.934 0.494 . . . . 10.0 112.285 -178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -111.69 21.08 16.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 10.0 110.806 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -100.57 136.88 39.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.774 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -128.72 76.8 1.74 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.232 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.23 166.21 26.89 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.752 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -94.48 53.37 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 10.0 110.499 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -101.76 119.34 49.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.826 -1.079 . . . . 10.0 109.789 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 p -121.17 14.38 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 10.0 111.41 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -129.01 157.82 40.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.629 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.1 p -100.03 170.46 8.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.62 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 ptp -67.01 -24.8 66.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.017 0.437 . . . . 10.0 110.403 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 m -91.86 25.59 2.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -4.85 6.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.166 1.226 . . . . 10.0 116.166 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.47 131.66 38.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.834 0.817 . . . . 10.0 111.725 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.93 135.45 41.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.447 -0.797 . . . . 10.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.71 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 29.7 t -78.92 138.51 38.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.317 0.58 . . . . 10.0 111.634 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.438 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 23.0 tt0 -74.36 149.83 40.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.869 -1.059 . . . . 10.0 110.246 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 30' ' ' GLN . . . -74.74 138.15 42.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.4 -53.63 52.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -83.07 4.44 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.94 0.718 . . . . 10.0 112.94 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.4 m -98.01 126.27 43.36 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.178 -0.209 . . . . 10.0 110.557 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -81.84 92.23 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 10.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.36 158.37 38.96 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.749 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -38.83 -33.99 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.184 2.589 . . . . 10.0 112.136 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 42.3 m170 -82.87 100.46 10.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.25 143.05 57.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.766 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -135.99 134.85 39.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.024 0.44 . . . . 10.0 109.915 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.27 -1.33 75.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.759 -0.734 . . . . 10.0 113.275 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.78 75.01 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.488 -0.419 . . . . 10.0 111.089 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.2 mm -73.48 125.73 90.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.211 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.38 -25.34 78.15 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.256 2.637 . . . . 10.0 113.265 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 102' ' ' SER . 1.0 OUTLIER -65.51 -20.27 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 10.0 110.713 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HE2' ' HA2' ' B' ' 101' ' ' GLY . 86.1 mttt -103.06 0.24 31.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.949 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -146.89 57.28 3.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.121 -0.945 . . . . 10.0 110.771 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.33 -15.17 16.06 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.096 1.864 . . . . 10.0 112.23 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -96.57 11.53 34.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.122 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -107.68 3.42 24.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 57.67 46.38 17.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.357 0.599 . . . . 10.0 111.26 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.81 87.99 5.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.81 150.42 49.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.122 0.487 . . . . 10.0 112.176 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 52.62 -114.38 0.84 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.834 -1.075 . . . . 10.0 112.696 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -148.4 34.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.641 0.734 . . . . 10.0 109.937 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.43 148.47 30.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -81.41 121.7 26.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.308 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -137.14 179.56 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.847 0.356 . . . . 10.0 110.875 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -117.35 87.77 25.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 178.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -81.91 -23.04 4.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.752 2.302 . . . . 10.0 114.711 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.577 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . 3.0 t0 -104.44 2.95 31.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.384 0.538 . . . . 10.0 111.915 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 88.9 mtm180 68.78 30.85 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.674 0.75 . . . . 10.0 110.05 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.577 ' OD1' ' HB3' ' A' ' 61' ' ' ASP . 5.7 m-20 -64.9 174.08 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.339 -1.3 . . . . 10.0 111.52 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.73 -44.31 48.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.652 -1.158 . . . . 10.0 110.406 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -150.79 156.28 35.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.063 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -56.04 153.43 32.26 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.838 2.359 . . . . 10.0 112.627 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -151.62 163.35 39.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.71 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 6.0 p -151.58 156.62 40.85 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.192 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -77.54 155.0 31.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.67 140.38 52.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.816 -0.353 . . . . 10.0 111.56 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 32.76 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 10.0 111.056 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.466 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -116.0 118.79 37.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.725 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.67 -19.17 1.91 Allowed 'Trans proline' 0 N--CA 1.479 0.667 0 C-N-CA 124.213 3.275 . . . . 10.0 115.507 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.55 -23.66 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.0 -0.437 . . . . 10.0 112.17 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -123.92 101.99 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.308 0.114 . . . . 10.0 111.308 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -59.69 -45.58 91.67 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.752 0.311 . . . . 10.0 111.034 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -159.22 163.68 35.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.099 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -150.8 161.54 42.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.075 0.464 . . . . 10.0 111.382 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -85.52 158.74 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.434 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.1 t -120.84 125.6 47.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.273 -0.171 . . . . 10.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -88.92 115.34 26.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.231 0.539 . . . . 10.0 110.924 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 32.7 mt -122.34 136.21 26.26 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.55 133.54 12.99 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.296 2.664 . . . . 10.0 112.569 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -106.05 155.26 19.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.826 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.546 ' HB2' ' O ' ' A' ' 9' ' ' MET . 49.6 t -78.97 128.54 33.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.524 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.58 12.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.261 0.553 . . . . 10.0 110.411 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.746 -0.645 . . . . 10.0 110.338 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.432 ' HA2' ' HE2' ' A' ' 46' ' ' LYS . . . . . . . . 0 N--CA 1.478 1.475 0 N-CA-C 112.365 -0.294 . . . . 10.0 112.365 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.446 ' O ' ' HB3' ' A' ' 45' ' ' SER . 67.6 m -115.99 -44.16 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 12.8 m -120.57 -8.18 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.939 0.4 . . . . 10.0 111.614 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.12 142.37 47.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.632 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -108.93 31.5 5.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.342 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.14 138.67 47.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 1.7 m 60.66 33.72 20.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.456 0.646 . . . . 10.0 111.077 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.64 -45.89 73.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.143 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.04 88.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.876 0.37 . . . . 10.0 111.047 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.525 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 26.0 tt0 -65.94 -38.72 89.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.831 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -64.92 -43.5 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.006 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.3 -42.98 96.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.203 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 14.2 mmt180 -66.56 -36.88 83.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.436 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 85.7 mt -63.41 -33.24 75.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.284 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -63.19 -41.57 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.3 -29.95 69.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.809 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -71.57 -42.37 67.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.46 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -65.68 -37.36 86.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.029 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -46.31 85.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.439 -0.801 . . . . 10.0 110.068 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.68 -24.99 62.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.12 -51.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 10.0 111.418 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.58 84.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 10.0 111.164 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -77.55 -22.19 51.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.416 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.06 -33.83 61.75 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.001 -1.111 . . . . 10.0 108.001 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.49 -31.54 67.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.341 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.656 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 2.6 ttt180 -61.28 -50.58 72.42 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.272 -0.877 . . . . 10.0 110.278 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.68 -50.04 71.34 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.952 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -61.41 -42.06 98.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.837 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.656 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 73.0 mt-10 -62.72 -22.77 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.998 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.64 81.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.69 41.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.73 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.83 111.74 10.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . 0.43 ' O ' ' HG2' ' B' ' 139' ' ' GLU . 45.6 m-70 -77.55 -29.19 52.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.586 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -55.64 -47.7 76.18 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.295 0.569 . . . . 10.0 109.944 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.435 ' HG3' ' CB ' ' B' ' 143' ' ' LYS . 24.3 tttm -60.54 -54.2 48.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.917 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . 0.567 ' HG3' ' CD ' ' B' ' 131' ' ' GLU . 10.9 tttp -47.83 -65.09 0.62 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' B' ' 135' ' ' HIS . 11.1 pt-20 -98.73 -17.49 18.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 117.528 2.418 . . . . 10.0 117.528 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.49 -72.85 0.5 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 120.501 3.519 . . . . 10.0 120.501 -170.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.29 -81.8 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 120.551 3.537 . . . . 10.0 120.551 -173.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -56.89 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 119.22 3.044 . . . . 10.0 119.22 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.435 ' CB ' ' HG3' ' B' ' 137' ' ' LYS . 8.2 mmtt -34.86 -48.71 0.41 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.462 2.023 . . . . 10.0 116.462 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.12 -59.55 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.962 0.801 . . . . 10.0 110.92 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.06 -43.89 51.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.272 -0.876 . . . . 10.0 112.113 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.78 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -50.18 -52.35 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.728 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -63.12 -62.82 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.313 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp 58.47 -114.84 0.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.532 0.52 . . . . 10.0 110.197 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -153.88 133.03 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.643 0.258 . . . . 10.0 110.81 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -53.67 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.438 0.637 . . . . 10.0 109.635 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.857 179.342 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.556 0.217 . . . . 10.0 111.243 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.71 47.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.887 0.375 . . . . 10.0 111.317 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.2 145.91 33.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.043 0.449 . . . . 10.0 110.69 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.91 118.79 37.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.299 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -103.6 91.4 4.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.519 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.49 101.65 7.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.194 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.24 177.11 6.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.5 m -108.0 127.91 54.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.151 0.5 . . . . 10.0 111.012 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 mmt -94.2 169.34 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.53 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.57 -53.33 49.45 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.583 -0.281 . . . . 10.0 110.832 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.56 -52.18 0.44 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.406 -1.378 . . . . 10.0 114.376 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -3.75 29.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.65 -14.42 18.35 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.013 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.51 -32.91 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.921 0.391 . . . . 10.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -102.87 18.33 21.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.956 0.408 . . . . 10.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -90.6 123.72 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.375 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -126.27 76.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.44 161.9 13.51 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.67 -0.776 . . . . 10.0 113.313 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -86.68 48.75 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 10.0 111.771 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 tt -97.1 116.36 39.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.119 0.485 . . . . 10.0 110.012 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -107.54 8.16 29.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -129.25 161.04 31.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.498 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.404 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -101.51 -167.25 1.39 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -74.17 -27.82 61.01 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.28 26.61 3.69 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.151 0.797 . . . . 10.0 113.151 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.64 -5.3 5.92 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 116.47 1.348 . . . . 10.0 116.47 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.39 136.12 54.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 118.449 1.124 . . . . 10.0 112.183 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.62 128.8 36.03 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.698 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.1 t -75.42 136.42 40.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.659 0.742 . . . . 10.0 112.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.31 138.26 40.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.73 -1.123 . . . . 10.0 110.002 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.418 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.28 135.78 55.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.25 . . . . 10.0 110.337 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.69 -52.33 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.321 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.36 3.22 16.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.418 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 11.7 t -98.93 135.07 40.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.92 0.391 . . . . 10.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -91.41 90.13 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.462 0.648 . . . . 10.0 110.036 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.84 157.97 35.03 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.069 -0.968 . . . . 10.0 109.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -35.48 -35.31 0.13 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.589 2.859 . . . . 10.0 113.126 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 57.0 m170 -83.98 102.73 12.67 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.85 152.47 45.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.98 145.73 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.497 0.665 . . . . 10.0 111.633 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.21 -4.06 58.63 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 115.145 -0.934 . . . . 10.0 113.01 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -87.54 63.32 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.287 0.565 . . . . 10.0 110.826 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 HG21 ' H ' ' A' ' 45' ' ' SER . 30.8 mm -72.57 125.92 91.06 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.256 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.435 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 52.9 Cg_exo -57.44 -23.86 57.89 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.387 2.724 . . . . 10.0 113.384 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.415 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.5 m -68.34 -12.68 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.7 -52.55 5.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.52 81.56 31.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.484 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.41 -4.02 13.39 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.411 2.074 . . . . 10.0 112.07 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -84.16 5.87 24.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.197 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -111.19 5.97 20.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.639 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.15 51.52 10.21 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.216 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.9 mp -80.59 73.65 7.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.233 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.84 155.87 24.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.621 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 54.53 -113.58 0.8 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.21 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -151.94 34.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 10.0 110.379 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -79.39 157.68 27.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.473 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.9 t -87.37 128.49 35.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.871 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.02 169.84 22.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -110.06 99.37 39.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 10.0 109.992 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.91 -15.55 1.3 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.55 2.167 . . . . 10.0 114.187 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 14.2 t70 -95.76 -12.65 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.163 -0.335 . . . . 10.0 111.814 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 15.0 mtm180 73.36 24.79 2.29 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.896 0.855 . . . . 10.0 108.952 -177.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -78.03 -165.61 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.495 -1.229 . . . . 10.0 111.963 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.39 -47.57 72.56 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 34.3 ptt180 -161.8 152.78 15.11 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.501 -0.479 . . . . 10.0 112.099 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.05 146.6 16.91 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.142 2.561 . . . . 10.0 112.732 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.54 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 42.0 p-90 -154.12 171.72 18.69 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.543 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -158.53 160.87 37.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.73 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.18 155.92 31.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.566 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.16 140.73 52.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.017 0.437 . . . . 10.0 111.407 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.16 37.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.938 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -116.4 118.19 37.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.54 -11.46 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.513 2.809 . . . . 10.0 115.022 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -101.16 -26.72 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.997 -0.439 . . . . 10.0 111.199 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -122.77 108.89 13.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -67.0 -40.44 87.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.733 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -153.65 161.62 41.99 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 10.0 110.072 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -150.85 155.12 38.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.998 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.54 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 85.9 m-85 -95.89 147.5 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.285 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.404 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 2.7 t -113.44 145.11 41.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.37 126.24 35.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.779 0.323 . . . . 10.0 111.395 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.58 129.78 24.91 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.86 131.98 21.33 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.216 2.61 . . . . 10.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.41 150.93 20.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 10.0 110.894 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.1 t -90.93 134.2 34.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.389 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.06 52.08 2.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.903 0.382 . . . . 10.0 110.764 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.11 -179.78 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.415 ' HA3' ' HG2' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.9 -0.48 . . . . 10.0 111.9 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.6 m -92.14 -58.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.612 0.244 . . . . 10.0 111.372 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.88 43.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.091 0.472 . . . . 10.0 111.564 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.415 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 11.6 pt-20 -120.26 159.79 24.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.315 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -131.95 27.57 4.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.285 0.564 . . . . 10.0 110.13 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -74.2 153.05 39.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.168 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' THR . . . . . 0.406 HG23 ' HB2' ' B' ' 110' ' ' ALA . 0.2 OUTLIER 65.47 37.49 6.1 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.004 0.43 . . . . 10.0 110.044 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.51 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . 0.406 ' HB2' HG23 ' B' ' 107' ' ' THR . . . -65.37 -38.7 90.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 10.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.1 tt0 -67.99 -37.32 81.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.535 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 28.0 tp -65.0 -42.73 94.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.64 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.77 -41.89 92.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.041 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -70.21 -33.6 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.522 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 74.0 mt -58.46 -38.39 77.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -66.84 -39.03 87.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.111 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.03 -32.01 71.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.111 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -80.51 -43.32 20.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.514 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -69.38 -36.0 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.792 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.07 81.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.605 -0.438 . . . . 10.0 109.881 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 18.1 mm-40 -66.73 -24.01 66.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.162 0.506 . . . . 10.0 109.932 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.32 -47.21 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.718 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.51 91.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.662 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.39 -30.78 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' B' ' 121' ' ' GLU . 16.4 mt -67.06 -38.3 85.55 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -55.23 -33.88 63.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.872 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -66.93 -42.46 85.31 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.415 ' HB2' ' HZ2' ' B' ' 129' ' ' LYS . 0.7 OUTLIER -58.68 -37.94 77.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.953 177.271 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -63.0 -41.62 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.284 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.1 -35.7 79.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.457 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.72 73.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.079 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.39 58.7 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.441 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -120.57 99.98 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -61.92 -25.88 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.949 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.09 -44.44 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -63.46 -46.35 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.084 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -54.82 -29.78 55.61 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.83 -19.47 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.098 -0.376 . . . . 10.0 111.852 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.24 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 10.0 110.787 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.12 -15.79 16.2 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -62.59 -12.59 23.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.076 0.465 . . . . 10.0 111.214 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.74 -18.16 63.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.05 64.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.81 -39.22 76.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.32 -25.82 58.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.97 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.75 -32.02 46.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.79 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -78.87 -46.59 18.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.98 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.6 146.15 40.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 10.0 110.461 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -136.28 169.46 17.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.817 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 123.29 22.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.467 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.476 -0.773 . . . . 10.0 110.25 -179.442 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.697 0.284 . . . . 10.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.61 76.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.246 0.546 . . . . 10.0 110.34 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.83 -27.19 13.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.429 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -85.76 91.3 8.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.069 0.461 . . . . 10.0 110.465 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.96 120.45 40.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.706 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -143.96 34.52 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.799 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.7 155.53 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 10.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.4 m -107.48 127.85 53.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.269 0.557 . . . . 10.0 110.345 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.2 mmt -98.11 168.5 10.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.313 -179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -56.41 -46.4 80.2 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.518 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.42 -44.55 0.83 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.182 -1.009 . . . . 10.0 113.008 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -3.08 32.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.98 0.39 . . . . 10.0 111.744 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.71 -20.18 3.71 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.835 -0.697 . . . . 10.0 114.198 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -58.48 -43.42 88.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.017 0.408 . . . . 10.0 111.637 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -86.95 16.65 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 10.0 111.568 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -101.58 133.06 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.12 82.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.32 158.72 15.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.284 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -93.67 47.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 10.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 tt -102.33 120.1 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.645 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.24 22.75 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.242 0.544 . . . . 10.0 110.778 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -124.56 152.25 43.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.07 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -100.4 -175.65 2.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.617 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.45 -31.27 68.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.888 0.375 . . . . 10.0 111.484 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -93.94 26.99 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.97 -2.19 8.97 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.002 -1.094 . . . . 10.0 115.786 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.42 130.85 43.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.583 0.692 . . . . 10.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.5 128.73 35.96 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.336 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.98 138.35 47.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 10.0 112.713 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.41 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 3.0 tt0 -82.08 142.16 32.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.231 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.41 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -68.33 136.69 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.622 0.248 . . . . 10.0 111.41 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -60.36 -52.67 64.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.124 -0.489 . . . . 10.0 112.266 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -78.49 2.77 17.92 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.41 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t -98.35 126.57 43.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.121 0.486 . . . . 10.0 111.002 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.79 94.97 7.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.199 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 p -95.81 156.89 36.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.786 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -36.09 -42.44 0.6 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.874 3.049 . . . . 10.0 112.541 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -78.99 116.73 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.02 147.08 50.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.637 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -144.6 134.25 23.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.199 0.523 . . . . 10.0 110.066 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.53 82.01 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.556 -0.747 . . . . 10.0 113.762 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.25 68.34 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.322 0.561 . . . . 10.0 111.34 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 HG21 ' H ' ' A' ' 45' ' ' SER . 41.5 mm -71.97 124.85 91.46 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.514 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.483 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 55.6 Cg_endo -68.5 -13.34 37.18 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 123.237 2.625 . . . . 10.0 113.269 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.481 ' H ' HG21 ' A' ' 43' ' ' ILE . 4.4 m -75.6 -11.62 60.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.639 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -90.84 -47.2 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.216 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.49 82.61 15.66 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.538 0.209 . . . . 10.0 111.35 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -80.22 -6.63 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.812 2.342 . . . . 10.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -84.89 6.51 24.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.466 . . . . 10.0 112.101 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.54 8.69 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.711 0.291 . . . . 10.0 111.117 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.2 t30 53.78 53.55 11.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.847 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.483 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.1 mp -80.87 78.36 7.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.871 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -123.13 160.89 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.928 0.394 . . . . 10.0 111.982 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.27 -119.53 1.34 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.004 -0.998 . . . . 10.0 112.33 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -148.88 34.09 0.76 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.69 . . . . 10.0 109.994 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.85 155.07 24.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 39.6 t -80.86 120.23 24.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.741 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -135.43 -179.66 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 10.0 110.767 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -142.07 85.82 10.71 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.999 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -84.64 0.07 9.16 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.117 1.878 . . . . 10.0 114.818 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.488 ' OD1' ' HD3' ' B' ' 116' ' ' LYS . 10.0 t70 -107.64 -11.16 15.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.0 0.818 . . . . 10.0 112.284 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 82.1 mtm180 72.06 26.02 2.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.984 0.513 . . . . 10.0 111.718 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -71.24 -162.54 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.795 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.7 mp -52.19 -49.23 64.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -177.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.461 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 33.1 ptt180 -169.01 155.01 6.33 Favored Pre-proline 0 N--CA 1.465 0.298 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.13 144.89 8.3 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.676 2.917 . . . . 10.0 114.101 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.461 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 61.7 p-90 -161.81 170.1 20.15 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.218 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.9 p -162.61 168.58 21.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.821 0.344 . . . . 10.0 110.586 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -76.96 155.02 33.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -124.95 144.65 50.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.97 0.414 . . . . 10.0 111.569 -176.411 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -78.31 27.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.807 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -105.64 119.36 52.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.883 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.66 -17.81 30.44 Favored 'Trans proline' 0 N--CA 1.476 0.483 0 C-N-CA 123.171 2.58 . . . . 10.0 113.483 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -97.98 -21.54 16.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.465 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -124.67 103.94 8.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.41 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 39.6 mtt180 -57.13 -43.34 82.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.953 0.406 . . . . 10.0 111.137 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -156.03 163.17 40.02 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.223 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -148.44 154.62 40.13 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.523 0.514 . . . . 10.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.46 158.32 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.493 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.7 t -125.34 130.14 51.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.48 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -88.63 116.3 26.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.847 0.356 . . . . 10.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.9 mt -117.96 135.25 23.34 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -50.24 132.35 33.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.179 2.586 . . . . 10.0 113.251 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -102.91 153.46 20.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -127.75 123.52 35.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.052 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.03 93.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.34 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.666 -0.683 . . . . 10.0 110.108 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 112.194 -0.362 . . . . 10.0 112.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -59.82 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 10.0 110.967 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 -27.05 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.606 0.717 . . . . 10.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -98.22 -174.08 2.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.216 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -108.08 29.19 7.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.287 0.565 . . . . 10.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.75 148.35 49.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.723 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 1.8 m 66.67 34.94 5.49 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.385 0.612 . . . . 10.0 109.415 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.51 3.52 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.968 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.26 -46.25 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -36.98 83.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.691 0.282 . . . . 10.0 110.777 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.469 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 3.3 tp10 -60.48 -48.16 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.49 -39.1 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -61.5 -42.48 98.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.015 0.436 . . . . 10.0 110.155 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 27.5 mmt180 -66.81 -37.92 85.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.517 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 93.5 mt -57.28 -38.75 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 10.0 110.337 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . 0.488 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 20.2 mtmt -68.4 -36.94 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -61.75 -31.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.404 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 15.5 mm-40 -84.59 -28.7 26.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.17 0.509 . . . . 10.0 109.835 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -73.56 -34.18 65.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.425 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.74 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.578 -0.897 . . . . 10.0 108.578 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 125' ' ' LEU . 18.3 mm-40 -70.96 -22.67 62.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.876 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.41 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 23.8 tt0 -78.59 -51.58 9.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.62 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.79 92.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.72 -28.22 61.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' B' ' 121' ' ' GLU . 2.4 mt -72.11 -36.93 69.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.37 -33.57 63.56 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.399 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.32 -46.59 89.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.17 -37.57 87.74 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.817 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -59.81 -40.14 87.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.204 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.7 m -65.23 -45.4 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.84 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.06 -22.35 66.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.583 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.32 96.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.128 0.49 . . . . 10.0 110.034 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.3 -57.68 11.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.911 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.94 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.858 0.361 . . . . 10.0 110.931 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.33 -31.43 71.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.608 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.75 -28.24 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 10.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -84.99 -30.84 23.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.224 0.535 . . . . 10.0 110.233 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.97 -15.93 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.201 -0.909 . . . . 10.0 112.087 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.08 -48.36 76.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 10.0 111.088 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -30.94 58.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.717 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -89.19 -27.76 20.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.04 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -46.75 -36.27 7.06 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.834 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -51.8 -14.33 0.35 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . 0.415 ' O ' ' HB2' ' B' ' 149' ' ' LEU . 9.1 mp -55.41 -44.14 75.93 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.064 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.74 -51.88 44.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.893 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.83 -45.73 59.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.525 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -73.24 -39.13 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' B' ' 145' ' ' LEU . 20.1 tp -59.23 96.3 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.552 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -163.88 99.67 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.158 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -75.32 153.01 38.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 10.0 110.664 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.526 -0.75 . . . . 10.0 110.404 -178.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.15 106.83 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.189 0.519 . . . . 10.0 110.047 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.8 17.45 10.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.835 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -99.21 83.8 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.568 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.01 72.17 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.366 0.603 . . . . 10.0 111.061 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -110.54 110.68 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.216 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -101.33 168.8 9.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.599 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 m -116.8 126.61 53.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.371 . . . . 10.0 110.116 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 mmt -93.64 166.16 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.25 -60.16 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.05 -52.47 0.4 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.126 -1.035 . . . . 10.0 114.037 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.62 -2.78 31.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.631 0.715 . . . . 10.0 112.387 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.87 -22.1 3.63 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.342 -0.932 . . . . 10.0 113.834 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.403 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.4 tt0 -58.45 -34.4 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.948 0.374 . . . . 10.0 111.648 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.41 16.14 12.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -99.34 125.29 44.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.31 41.03 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.431 . . . . 10.0 110.252 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.04 160.45 52.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.27 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -87.65 53.95 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.193 0.521 . . . . 10.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.3 tt -102.2 116.46 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.006 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -119.61 5.75 11.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.095 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -111.7 149.58 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.4 p -101.49 169.59 8.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -61.14 -33.26 73.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.339 . . . . 10.0 111.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.06 24.48 2.81 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -3.14 9.02 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.543 0.977 . . . . 10.0 115.543 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.08 128.77 37.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 117.609 0.705 . . . . 10.0 111.626 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -75.92 130.78 39.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.615 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.8 t -81.7 125.78 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.239 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.8 142.98 40.1 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.437 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 34' ' ' SER . . . -60.4 137.19 58.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -63.13 -52.31 63.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.804 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.71 -9.8 55.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.408 ' HB2' ' HB1' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -90.8 136.68 32.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.875 0.369 . . . . 10.0 111.884 -178.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.36 82.7 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 m -91.54 155.58 43.83 Favored Pre-proline 0 C--N 1.317 -0.818 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.757 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -31.88 -45.13 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 124.362 3.375 . . . . 10.0 113.601 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 34.1 m170 -86.43 112.31 21.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.42 147.57 39.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.594 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -144.62 143.2 30.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.293 0.568 . . . . 10.0 110.192 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 1.33 81.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.282 -0.872 . . . . 10.0 113.128 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.98 62.68 3.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.194 0.521 . . . . 10.0 111.642 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 HG21 ' H ' ' A' ' 45' ' ' SER . 45.5 mm -73.53 126.41 89.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.706 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.61 -22.43 28.42 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.653 2.902 . . . . 10.0 114.075 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.47 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.3 m -68.77 -16.31 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.838 0.352 . . . . 10.0 111.321 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -51.78 7.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.21 79.54 27.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.714 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.74 -8.35 19.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.354 2.036 . . . . 10.0 112.28 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -85.25 -1.39 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.343 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -100.23 4.73 44.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.726 0.298 . . . . 10.0 110.688 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.92 53.82 5.45 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.578 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.88 97.43 7.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.04 151.95 48.54 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 48.04 -112.13 0.45 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.592 -1.186 . . . . 10.0 112.942 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -143.78 32.15 1.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.501 0.667 . . . . 10.0 110.052 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -83.28 157.18 22.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.49 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -87.8 125.22 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.396 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -140.89 177.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.417 ' HB2' ' HG3' ' A' ' 66' ' ' PRO . 47.3 t-20 -120.77 99.32 47.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -89.52 -14.7 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.477 2.118 . . . . 10.0 114.946 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.485 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 6.4 t70 -108.52 -13.06 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.595 0.634 . . . . 10.0 112.438 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 20.2 mtm105 73.13 28.0 1.93 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.433 0.635 . . . . 10.0 110.038 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.05 -163.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.818 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.39 -47.35 37.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 13.8 ptt180 -167.34 157.3 9.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 121.099 -0.24 . . . . 10.0 111.266 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.417 ' HG3' ' HB2' ' A' ' 59' ' ' ASN . 71.6 Cg_exo -51.19 150.71 13.76 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.199 2.599 . . . . 10.0 113.335 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.403 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 16.2 p-90 -154.24 169.61 23.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.476 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.615 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.2 p -153.49 153.1 31.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.82 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.51 155.2 36.36 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 144.81 50.96 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.478 -0.489 . . . . 10.0 111.472 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.44 31.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.445 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.486 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -109.16 115.73 56.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.62 -9.51 2.8 Favored 'Trans proline' 0 N--CA 1.482 0.804 0 C-N-CA 123.649 2.9 . . . . 10.0 114.881 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -105.09 -26.32 12.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.636 0.255 . . . . 10.0 111.187 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -123.3 105.03 9.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.107 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.443 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 60.4 mtt180 -60.89 -42.84 98.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.338 . . . . 10.0 111.558 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -155.09 165.74 35.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.517 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.67 151.43 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 10.0 110.865 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.39 149.68 24.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.789 -0.642 . . . . 10.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -113.6 131.85 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.584 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.53 120.89 32.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.35 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.417 HD11 ' HG2' ' A' ' 66' ' ' PRO . 96.1 mt -122.39 132.73 24.22 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.185 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -45.89 129.39 12.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.951 2.434 . . . . 10.0 112.336 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -104.54 155.01 19.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.128 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m -79.16 135.27 36.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.151 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.47 -24.51 50.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.456 -0.783 . . . . 10.0 110.204 -179.78 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.761 -0.536 . . . . 10.0 111.761 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -97.76 7.34 46.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.819 0.343 . . . . 10.0 110.99 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 t -80.95 -42.32 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.481 0.658 . . . . 10.0 109.795 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.0 176.63 5.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.084 -0.962 . . . . 10.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -125.6 87.7 2.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.221 0.534 . . . . 10.0 109.933 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.09 111.57 1.75 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.236 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 46.78 65.09 1.3 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.08 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.51 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.501 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -54.16 -48.98 70.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.637 0.256 . . . . 10.0 111.11 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.63 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.3 tt0 -65.07 -41.39 95.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 30.0 tp -61.93 -40.77 96.64 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.832 0.349 . . . . 10.0 110.296 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.392 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -64.94 -36.27 83.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.284 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 91.4 mt -59.82 -39.8 86.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.917 0.389 . . . . 10.0 110.092 178.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -68.85 -40.85 79.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -61.73 -28.61 69.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.323 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.72 -37.17 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -70.83 -33.1 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.898 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.2 81.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.56 -23.24 63.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.285 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.443 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 11.2 tt0 -75.51 -52.81 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.94 85.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -74.12 -27.71 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.77 -34.53 75.71 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.45 -28.6 45.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.468 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -65.72 -46.09 80.27 Favored 'General case' 0 CA--C 1.523 -0.072 0 N-CA-C 108.617 -0.882 . . . . 10.0 108.617 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.04 -42.6 94.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.473 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -56.2 -40.75 74.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.191 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 18.9 m -63.75 -42.81 97.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.66 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.07 -37.41 87.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.76 85.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.122 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.97 36.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.444 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -112.08 95.81 5.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.958 0.409 . . . . 10.0 110.085 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . 0.443 ' O ' ' HG3' ' B' ' 139' ' ' GLU . 0.2 OUTLIER -61.02 -31.67 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.854 -178.887 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.02 -44.28 74.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.996 0.427 . . . . 10.0 110.126 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -67.01 -44.13 81.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.657 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -63.69 -25.54 68.25 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . 0.541 ' HA ' ' CB ' ' B' ' 144' ' ' ALA . 8.8 mt-10 -85.82 -15.63 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.351 -0.843 . . . . 10.0 111.606 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.16 -68.13 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 115.861 1.8 . . . . 10.0 115.861 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.14 -83.18 0.4 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.72 -17.87 9.77 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.522 1.055 . . . . 10.0 112.845 -178.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' B' ' 143' ' ' LYS . 0.1 OUTLIER -52.71 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -171.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . 0.541 ' CB ' ' HA ' ' B' ' 139' ' ' GLU . . . -46.3 -48.66 18.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . 0.433 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.4 mp -54.51 -31.26 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -81.24 -45.02 16.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.023 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.29 -41.62 60.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.891 0.377 . . . . 10.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.54 -69.76 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.803 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.64 108.54 9.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.134 0.492 . . . . 10.0 111.212 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -143.64 66.85 1.29 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.635 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.58 126.62 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.267 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.606 -0.712 . . . . 10.0 110.313 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.73 0.3 . . . . 10.0 110.23 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.95 153.19 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.2 -33.37 74.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.769 0.319 . . . . 10.0 111.187 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.25 108.38 17.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 69.35 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.253 0.549 . . . . 10.0 110.441 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -93.95 144.4 25.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.95 170.48 15.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.7 m -130.39 132.46 45.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.183 0.516 . . . . 10.0 111.119 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 mmt -91.5 168.09 11.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.184 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -71.21 -48.17 53.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.7 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.31 -65.39 0.28 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.544 -1.312 . . . . 10.0 113.893 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -100.29 -1.97 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 -10.84 13.89 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.653 -0.784 . . . . 10.0 113.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -34.22 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -98.78 15.05 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 10.0 111.574 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -89.71 125.15 35.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.442 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -112.79 46.0 1.26 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.27 144.65 36.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.627 -0.797 . . . . 10.0 112.73 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.11 59.91 5.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.298 0.57 . . . . 10.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.419 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 m -111.64 1.0 16.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -121.36 156.56 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.765 0.317 . . . . 10.0 110.74 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 p -100.88 -175.83 3.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -70.53 -33.25 70.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.061 0.458 . . . . 10.0 110.749 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.93 24.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.282 0.845 . . . . 10.0 113.282 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.52 -3.34 8.69 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.168 -1.015 . . . . 10.0 115.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.88 126.09 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.291 0.545 . . . . 10.0 111.627 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.79 137.58 39.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.898 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.574 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 11.3 t -81.46 131.0 35.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.507 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.42 151.11 42.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.779 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.36 137.28 55.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 10.0 110.845 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.51 -52.54 57.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.28 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.8 -5.6 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -92.68 135.25 34.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.892 0.377 . . . . 10.0 111.203 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.68 93.01 4.82 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 m -92.36 155.62 42.31 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.318 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.8 -36.19 4.9 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.653 2.902 . . . . 10.0 112.235 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -85.75 112.68 21.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.71 143.59 54.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.676 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -144.99 139.26 27.36 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.145 0.498 . . . . 10.0 110.232 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.27 0.62 72.0 Favored Glycine 0 C--N 1.321 -0.301 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.585 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.01 62.58 3.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.106 0.479 . . . . 10.0 111.63 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mm -73.33 128.49 87.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.206 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.16 -27.84 48.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.5 2.8 . . . . 10.0 113.391 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -22.82 67.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.819 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -79.03 -52.01 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.736 0.303 . . . . 10.0 111.417 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CE2' HD13 ' B' ' 112' ' ' LEU . 4.1 m-85 -122.05 79.39 42.63 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 10.0 110.381 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.55 -7.88 17.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.981 2.454 . . . . 10.0 112.107 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -79.21 -1.04 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.235 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -106.9 5.67 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 10.0 110.592 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.6 t30 55.53 55.79 6.92 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.815 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.03 93.12 6.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -128.37 151.76 48.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.887 0.375 . . . . 10.0 111.889 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 54.09 -111.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.287 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -150.05 36.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 10.0 110.245 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -80.62 154.66 27.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -76.2 120.32 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -125.74 176.36 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.326 0.584 . . . . 10.0 111.756 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -143.38 88.21 8.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.21 -7.69 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.383 2.055 . . . . 10.0 115.348 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' CG ' ' HZ3' ' B' ' 116' ' ' LYS . 18.0 t70 -109.53 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.702 0.683 . . . . 10.0 112.048 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 76.9 mtm180 75.58 31.31 0.75 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 10.0 110.344 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -70.81 -164.7 0.1 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.294 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mp -53.62 -48.89 68.88 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.52 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -163.85 153.2 12.26 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.899 -0.321 . . . . 10.0 111.443 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.15 150.17 10.94 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.24 2.627 . . . . 10.0 113.049 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.476 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 35.0 p-90 -159.29 171.71 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.42 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.574 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.8 p -159.91 166.01 31.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.903 0.382 . . . . 10.0 111.383 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.67 155.56 25.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.35 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.54 143.66 49.58 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.56 -0.456 . . . . 10.0 111.778 -176.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 p -77.25 31.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.603 . . . . 10.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.8 120.93 33.51 Favored Pre-proline 0 C--N 1.321 -0.665 0 O-C-N 122.204 -0.31 . . . . 10.0 110.496 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.9 -12.99 7.88 Favored 'Trans proline' 0 N--CA 1.477 0.507 0 C-N-CA 123.317 2.678 . . . . 10.0 114.276 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -95.84 -26.38 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.114 -0.366 . . . . 10.0 111.278 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.2 105.44 9.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.035 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.64 -40.99 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 10.0 110.375 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 26.6 p-90 -157.12 168.82 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.107 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -154.73 155.51 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.508 0.505 . . . . 10.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -90.41 141.02 29.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 132.94 51.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 10.0 110.133 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.52 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 38.2 t70 -87.22 117.1 25.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.488 0.661 . . . . 10.0 111.654 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.73 133.62 24.55 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.575 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.61 134.48 27.09 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.438 2.758 . . . . 10.0 113.093 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -100.74 155.01 18.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.44 -175.16 3.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.482 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.43 -60.46 2.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.343 -0.837 . . . . 10.0 110.531 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.744 -0.542 . . . . 10.0 111.744 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.974 0.416 . . . . 10.0 110.465 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 18.8 t -99.42 -40.37 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.024 0.44 . . . . 10.0 110.006 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 159.98 33.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.676 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -121.93 34.98 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.083 0.468 . . . . 10.0 110.52 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.6 mt -76.1 152.98 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.48 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m 70.9 0.15 3.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.521 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.75 -48.35 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 10.0 110.439 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.64 -39.54 80.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.534 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.56 95.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.389 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 22.7 tt0 -67.06 -42.27 85.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.283 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.459 HD13 ' CE2' ' A' ' 47' ' ' PHE . 18.4 tp -61.13 -39.66 90.9 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.3 90.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.836 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.4 ' HD3' ' HA ' ' B' ' 114' ' ' ARG . 23.7 mmt180 -63.56 -38.62 91.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.958 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 96.3 mt -57.38 -37.74 73.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 10.0 110.009 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . 0.476 ' HZ3' ' CG ' ' A' ' 61' ' ' ASP . 37.1 mtmt -70.99 -37.44 72.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.856 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.21 -32.87 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.35 0.595 . . . . 10.0 109.771 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -76.45 -37.99 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.815 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -65.25 -39.37 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.473 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -35.37 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -26.58 61.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -81.03 -48.3 12.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.009 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.14 -46.29 88.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.759 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.22 -26.47 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.823 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.25 -35.53 61.39 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.53 -30.24 66.94 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.839 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 8.8 ttt180 -63.54 -50.12 70.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 11.1 mp -61.58 -37.57 84.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.306 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -46.13 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.77 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 45.6 m -65.87 -44.2 86.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.814 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 81.8 mt-10 -59.71 -18.16 40.31 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.144 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . 0.473 ' HA ' ' HD2' ' B' ' 138' ' ' LYS . . . -62.88 -33.55 75.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.07 0.462 . . . . 10.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.29 9.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.96 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.5 97.53 11.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.13 0.491 . . . . 10.0 111.045 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -65.64 -26.7 67.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.383 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.54 -32.35 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.934 0.397 . . . . 10.0 111.12 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' B' ' 141' ' ' GLU . 8.9 ttmm -88.91 -29.45 19.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.341 0.591 . . . . 10.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . 0.473 ' HD2' ' HA ' ' B' ' 132' ' ' ALA . 31.2 tttp -75.33 8.83 2.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.556 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.55 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 10.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -91.51 -16.15 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.796 0.808 . . . . 10.0 110.391 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . 0.608 ' HB2' ' O ' ' B' ' 137' ' ' LYS . 0.1 OUTLIER -91.99 -5.57 52.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.505 -1.225 . . . . 10.0 113.521 -176.329 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.441 ' HG3' ' H ' ' B' ' 143' ' ' LYS . 0.0 OUTLIER -46.93 -61.85 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -173.496 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.441 ' H ' ' HG3' ' B' ' 142' ' ' ARG . 7.1 tmtt? 72.38 -62.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.61 0.364 . . . . 10.0 111.334 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.6 70.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.137 0.494 . . . . 10.0 111.71 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . 0.405 ' HB2' ' HB2' ' B' ' 142' ' ' ARG . 7.4 mp -68.14 -24.56 65.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.71 -12.7 57.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.758 0.79 . . . . 10.0 109.2 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -93.97 -44.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.99 -1.004 . . . . 10.0 108.662 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -54.37 -44.16 71.99 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.822 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.34 113.98 0.93 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.195 0.521 . . . . 10.0 111.703 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -157.82 110.92 2.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.228 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -93.95 -179.62 5.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.582 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.275 -0.869 . . . . 10.0 110.079 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 121.034 0.445 . . . . 10.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.54 88.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.938 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -95.05 96.04 8.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.172 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -114.3 115.98 28.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.582 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p -151.29 98.42 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.771 0.32 . . . . 10.0 111.44 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -136.71 99.89 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.195 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -95.15 159.07 15.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -107.79 126.05 52.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.388 0.613 . . . . 10.0 110.702 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 14.7 mmt -97.14 166.63 11.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.262 -0.881 . . . . 10.0 112.241 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.161 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.03 -48.68 0.62 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.678 -1.248 . . . . 10.0 113.935 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 -5.63 24.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.611 0.706 . . . . 10.0 112.531 -177.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.69 -6.59 45.95 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.314 -0.946 . . . . 10.0 113.201 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.79 -32.6 70.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.776 0.322 . . . . 10.0 111.64 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.78 16.15 26.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -88.28 119.66 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.443 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.75 67.91 1.1 Allowed 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.23 161.89 29.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.537 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.43 34.49 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.4 0.619 . . . . 10.0 110.36 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 4.8 tt -87.28 120.96 37.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.128 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 8.14 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.759 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -123.59 152.96 41.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.526 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -97.13 -178.78 4.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.6 ppp? -75.87 -25.41 56.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.66 -0.416 . . . . 10.0 110.038 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -90.68 25.23 2.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.33 -8.36 2.94 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.64 130.41 42.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.697 0.749 . . . . 10.0 111.664 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -77.25 128.17 33.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.4 t -68.27 139.98 55.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.683 0.754 . . . . 10.0 112.499 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -81.7 144.05 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.467 -1.242 . . . . 10.0 110.389 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.437 ' HA ' ' HB3' ' A' ' 55' ' ' ASN . . . -68.86 133.3 48.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.424 0.63 . . . . 10.0 112.051 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -67.26 -52.22 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.343 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.25 -3.61 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.0 m -101.33 143.94 30.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.801 0.334 . . . . 10.0 111.655 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -81.38 139.04 35.54 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.771 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -147.19 154.24 45.85 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.433 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -41.52 -33.99 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.217 2.611 . . . . 10.0 112.248 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -86.98 98.8 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.43 149.84 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.892 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -147.53 135.36 21.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 10.0 110.742 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.81 -1.24 80.41 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -89.83 67.1 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.285 0.564 . . . . 10.0 110.62 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.1 mm -72.48 126.8 90.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.475 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 50.3 Cg_exo -57.5 -30.28 87.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.508 2.805 . . . . 10.0 113.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.33 -17.36 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.551 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' HE2' ' OE1' ' B' ' 111' ' ' GLU . 12.2 mptt -84.35 -50.11 8.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.408 ' CE1' ' HB1' ' B' ' 108' ' ' ALA . 4.2 m-85 -116.21 83.12 12.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 10.0 111.341 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.41 -8.09 14.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.168 1.912 . . . . 10.0 111.961 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.62 -7.83 59.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.503 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 65.0 mmtt -102.4 4.96 39.44 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.134 -0.226 . . . . 10.0 111.325 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.33 54.19 7.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.605 0.717 . . . . 10.0 111.144 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.2 mp -81.03 93.06 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.434 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.13 151.61 49.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.136 0.493 . . . . 10.0 112.314 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 50.74 -107.6 0.3 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.645 -1.161 . . . . 10.0 111.761 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.437 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 26.9 p-10 -152.37 36.42 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.486 0.66 . . . . 10.0 109.515 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -79.31 150.64 31.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.99 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 34.7 t -82.74 120.39 25.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.713 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -139.31 176.41 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -113.16 89.91 15.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.58 -26.29 2.16 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.243 1.962 . . . . 10.0 114.566 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -92.49 -6.89 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.034 -0.416 . . . . 10.0 111.205 -178.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 66.08 30.75 9.33 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.613 0.72 . . . . 10.0 109.588 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.0 -157.9 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.952 -1.022 . . . . 10.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.94 -47.59 32.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.377 0.88 . . . . 10.0 113.377 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' HG3' ' CD2' ' A' ' 79' ' ' TYR . 22.3 ptt180 -170.58 163.73 5.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 121.183 -0.207 . . . . 10.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -52.58 149.53 24.02 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.919 2.413 . . . . 10.0 113.613 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -159.58 171.0 20.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.95 -1.023 . . . . 10.0 109.259 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.583 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.7 p -161.39 164.94 29.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.86 0.362 . . . . 10.0 110.999 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -78.06 156.74 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.921 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -122.4 142.46 50.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.942 0.401 . . . . 10.0 111.405 -177.429 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.6 28.72 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.543 . . . . 10.0 111.364 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 70' ' ' THR . 0.1 OUTLIER -112.07 125.79 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.788 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.31 -11.09 14.98 Favored 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.052 2.501 . . . . 10.0 114.329 -178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.57 -52.12 5.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 10.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.99 126.12 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.62 0.247 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -70.96 -36.85 72.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 10.0 110.384 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -155.65 160.3 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.036 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.13 155.96 43.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.05 0.452 . . . . 10.0 111.495 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.418 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 5.6 m-85 -88.48 158.92 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.088 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.32 133.31 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.96 119.37 28.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 10.0 110.651 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.81 138.2 30.93 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.975 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -50.4 127.2 19.61 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.075 2.516 . . . . 10.0 112.331 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -99.37 151.79 20.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.89 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 9' ' ' MET . 5.3 t -80.69 125.75 30.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.823 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.13 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.402 . . . . 10.0 110.438 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.536 -0.745 . . . . 10.0 110.461 179.841 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 112.072 -0.411 . . . . 10.0 112.072 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.68 14.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.784 0.292 . . . . 10.0 111.635 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.9 -33.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.45 137.08 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.32 . . . . 10.0 111.024 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -139.47 42.21 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.433 0.635 . . . . 10.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.67 136.57 45.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.977 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 2.0 m 64.65 28.1 13.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.545 0.688 . . . . 10.0 110.476 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.408 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -72.31 -45.8 58.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.24 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -55.27 -43.94 75.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.816 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.66 88.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.591 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 44.5 tt0 -67.71 -40.82 84.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 27.8 tp -58.84 -42.36 89.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.902 0.382 . . . . 10.0 110.905 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.91 -42.56 89.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.419 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 17.3 mmt180 -67.93 -36.63 80.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.786 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 84.9 mt -58.97 -42.59 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.895 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.23 -39.68 93.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.567 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.34 -30.87 69.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.591 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.66 -35.05 19.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' B' ' 122' ' ' GLU . 32.9 ttp85 -72.73 -33.56 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.695 0.283 . . . . 10.0 110.744 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -43.08 85.91 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.27 -20.33 64.77 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 121.194 0.521 . . . . 10.0 109.884 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' B' ' 119' ' ' ARG . 40.3 tt0 -77.19 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.892 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.32 86.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.81 -27.59 65.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.728 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.66 -33.42 53.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.84 -29.37 66.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.248 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -43.88 90.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -36.77 81.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.398 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -56.76 -39.97 74.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.753 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 46.4 m -62.63 -41.29 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.991 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.39 -31.66 72.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.701 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.87 65.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.3 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.671 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -138.01 120.16 15.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.742 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.74 -21.24 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.469 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.16 -43.2 43.89 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -60.63 -45.16 95.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.109 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -45.55 -39.77 7.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.999 -1.0 . . . . 10.0 111.894 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -87.54 -31.19 20.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.912 0.387 . . . . 10.0 109.958 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.81 70.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.399 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -44.77 -9.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.296 1.591 . . . . 10.0 115.296 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . 0.445 ' C ' ' H ' ' B' ' 144' ' ' ALA . 0.0 OUTLIER -49.05 -17.32 0.2 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.309 0.504 . . . . 10.0 111.892 179.485 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.488 ' O ' ' HE2' ' B' ' 143' ' ' LYS . 3.2 ttpt -83.9 36.34 0.55 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . 0.445 ' H ' ' C ' ' B' ' 142' ' ' ARG . . . -78.55 -43.14 27.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.06 . . . . 10.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . 0.425 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.0 mp -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.255 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.47 -54.32 11.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.08 -46.2 68.5 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.726 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -69.53 -59.16 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.404 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 68.3 mt -84.41 50.9 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.935 0.397 . . . . 10.0 110.902 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -79.6 -58.51 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -111.13 156.41 21.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.26 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.44 -0.791 . . . . 10.0 110.63 -179.73 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.127 -0.323 . . . . 10.0 110.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.56 149.93 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 10.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -108.73 18.34 20.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.57 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -121.61 150.56 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.844 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -90.12 139.04 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.512 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -119.9 -8.24 9.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.298 0.57 . . . . 10.0 110.172 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -82.27 150.04 27.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.791 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 m -107.56 126.68 52.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.285 0.564 . . . . 10.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.537 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.0 mmt -95.95 168.93 10.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.605 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -64.76 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.403 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.4 -63.55 0.19 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.694 -1.241 . . . . 10.0 114.496 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -101.05 -1.98 32.78 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.517 0.659 . . . . 10.0 112.595 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.63 0.9 75.3 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.389 -0.91 . . . . 10.0 113.799 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.04 -26.86 64.95 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.797 0.332 . . . . 10.0 111.876 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -118.1 20.72 13.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -82.68 118.48 23.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.447 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.86 77.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.67 160.21 14.1 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.254 -0.974 . . . . 10.0 113.025 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -84.43 53.33 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 10.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 tt -99.29 114.92 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.279 -0.873 . . . . 10.0 109.796 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.11 0.87 15.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.586 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -120.69 158.51 27.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.447 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -99.0 172.1 7.62 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -64.01 -27.09 68.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.969 0.414 . . . . 10.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 24.99 2.09 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 -8.98 2.89 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 116.4 1.32 . . . . 10.0 116.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 mt -74.08 132.51 42.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.971 0.886 . . . . 10.0 112.036 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -75.2 132.32 41.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.284 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.729 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 35.9 t -70.76 142.1 51.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.535 0.683 . . . . 10.0 112.67 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -84.01 142.29 30.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.731 -1.122 . . . . 10.0 108.893 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.51 138.93 49.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 10.0 112.382 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -60.2 -51.37 69.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.02 -6.51 54.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.272 0.842 . . . . 10.0 113.272 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.8 m -87.41 135.35 33.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.512 -0.475 . . . . 10.0 112.003 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -91.65 84.25 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 10.0 109.138 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.59 154.8 42.45 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.622 -1.172 . . . . 10.0 109.627 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -38.62 -31.42 0.23 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.489 2.793 . . . . 10.0 112.801 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.93 96.94 9.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 148.9 51.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.45 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -152.03 150.59 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.044 0.45 . . . . 10.0 111.252 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.91 0.82 62.84 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.468 -0.787 . . . . 10.0 113.367 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -84.99 62.03 7.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 10.0 111.748 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.0 mm -73.96 126.69 89.16 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.65 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.36 -21.44 53.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.135 2.557 . . . . 10.0 113.289 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -70.59 -11.84 61.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.266 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.69 -55.0 3.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.926 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -120.09 82.45 29.67 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 120.735 0.302 . . . . 10.0 111.358 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -3.47 13.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.347 2.031 . . . . 10.0 111.932 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -76.67 -12.64 60.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.845 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -102.07 7.83 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.879 -0.329 . . . . 10.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t30 54.51 63.54 2.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.955 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.83 63.57 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.22 150.66 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 49.72 -113.31 0.62 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.372 -1.285 . . . . 10.0 112.469 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -146.5 33.43 0.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.792 0.806 . . . . 10.0 109.599 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -79.68 152.36 29.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.44 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -81.0 121.72 26.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -134.98 177.21 7.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.057 0.456 . . . . 10.0 110.628 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.445 ' OD1' ' HA ' ' A' ' 62' ' ' ARG . 27.3 t-20 -121.13 95.63 48.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -86.99 -28.2 0.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.675 2.25 . . . . 10.0 115.842 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.406 ' HA ' HD23 ' B' ' 112' ' ' LEU . 1.6 m-20 -96.69 -1.11 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.614 0.643 . . . . 10.0 112.556 -177.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 16.2 mtm180 66.54 32.81 7.04 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.419 0.628 . . . . 10.0 109.889 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.66 -160.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.031 -0.986 . . . . 10.0 112.111 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -51.52 -47.94 63.16 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -166.8 159.34 11.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.844 -0.343 . . . . 10.0 111.788 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.32 149.86 27.92 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.752 2.302 . . . . 10.0 112.663 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -157.18 173.25 17.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.729 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -162.65 162.21 26.89 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.396 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -76.31 155.26 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.518 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.07 142.59 50.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.996 0.427 . . . . 10.0 111.786 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -81.01 38.16 0.46 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.564 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.38 134.75 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.158 -179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -69.04 -9.11 25.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.897 2.398 . . . . 10.0 113.561 -179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.55 -41.85 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.82 0.304 . . . . 10.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 129.59 53.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 10.0 110.95 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -75.36 -35.12 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.703 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -154.14 165.8 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -148.53 155.87 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.7 148.88 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.48 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.04 139.45 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.75 121.78 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 10.0 111.389 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.04 137.72 24.77 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.96 128.86 11.84 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.137 2.558 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -100.12 153.76 18.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.826 0.346 . . . . 10.0 110.673 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 9' ' ' MET . 6.2 t -81.14 113.47 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.183 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.39 -44.5 74.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 10.0 110.277 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.474 -0.775 . . . . 10.0 109.683 179.489 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.833 -0.507 . . . . 10.0 111.833 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 5.9 m -73.34 -53.64 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.96 0.409 . . . . 10.0 110.479 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.74 143.43 40.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.551 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.64 141.78 48.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -143.39 76.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.249 0.547 . . . . 10.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.3 112.28 24.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 10.7 m 66.56 111.15 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.466 0.65 . . . . 10.0 111.799 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.9 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.21 -42.51 77.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.52 86.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.889 0.376 . . . . 10.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -64.87 -48.34 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.596 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 61' ' ' ASP . 18.4 tp -61.73 -41.78 98.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.037 0.446 . . . . 10.0 110.34 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -61.6 -44.85 96.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -70.95 -36.27 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.275 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 68.4 mt -59.34 -40.19 85.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 10.0 109.543 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -66.52 -39.33 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.38 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.414 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.24 -41.16 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 mtm105 -67.72 -32.53 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.919 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -60.45 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -65.12 -23.61 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.622 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.3 OUTLIER -83.8 -42.21 16.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.359 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.29 95.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.951 0.405 . . . . 10.0 110.516 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.21 -25.37 64.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.344 0.593 . . . . 10.0 109.565 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -34.02 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.647 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 5.4 mm-40 -61.1 -28.25 68.95 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -35.06 73.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.143 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.81 -32.24 63.63 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.81 -35.81 64.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.123 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -40.96 95.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.6 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.547 ' OE1' ' HG3' ' B' ' 138' ' ' LYS . 29.4 mt-10 -64.72 -38.3 90.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.205 0.526 . . . . 10.0 110.576 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.11 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.319 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.66 -54.08 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.682 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -125.29 118.94 27.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -71.55 -25.93 62.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.61 -48.92 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -62.95 -32.66 74.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.153 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . 0.547 ' HG3' ' OE1' ' B' ' 131' ' ' GLU . 39.8 tttp -50.56 -44.37 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.082 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.34 -26.55 63.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.689 0.28 . . . . 10.0 111.23 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.04 84.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -16.6 3.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -64.5 -12.45 44.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.412 0.625 . . . . 10.0 110.292 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -73.99 87.38 1.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.895 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.53 -17.89 43.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.756 -0.656 . . . . 10.0 112.19 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.24 -53.16 60.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.718 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.61 -30.14 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.473 0.654 . . . . 10.0 110.53 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -61.09 2.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.991 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -63.82 -48.0 78.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.214 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.07 77.03 2.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.021 0.439 . . . . 10.0 110.806 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.76 108.04 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.363 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.34 -34.47 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.61 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.532 -179.018 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.813 0.34 . . . . 10.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.35 69.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.44 0.638 . . . . 10.0 110.312 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -109.52 -18.11 13.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.754 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.82 53.41 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.788 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.49 105.56 5.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -102.11 132.94 47.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 10.0 110.386 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.42 173.87 6.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.374 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.14 126.62 52.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.3 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.471 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 23.1 mmt -93.74 168.23 11.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.566 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -61.1 -56.44 20.84 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.873 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.23 -50.79 0.49 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 119.837 -1.173 . . . . 10.0 113.92 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -9.44 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.646 0.723 . . . . 10.0 112.882 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.53 36.1 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.442 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -58.78 -32.9 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 10.0 111.588 -179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -100.32 18.43 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.723 0.297 . . . . 10.0 111.588 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -97.41 128.38 44.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.726 0.298 . . . . 10.0 111.083 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -126.23 71.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.12 165.17 20.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.666 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -94.54 44.06 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.071 0.462 . . . . 10.0 110.669 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -94.53 118.87 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.09 8.06 12.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.218 0.532 . . . . 10.0 110.733 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -115.11 148.24 39.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.064 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 p -100.26 -174.08 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.77 62.04 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.52 -0.472 . . . . 10.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 m -91.94 24.91 3.0 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.02 -7.22 3.29 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.918 -1.134 . . . . 10.0 115.599 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.5 mt -68.36 129.05 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.631 0.716 . . . . 10.0 111.351 -178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -80.39 132.21 35.73 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 38.9 t -70.13 134.05 47.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.448 -0.796 . . . . 10.0 112.626 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.096 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.2 129.77 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 10.0 110.381 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.81 -51.86 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.95 -7.88 44.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -104.1 134.76 46.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 10.0 111.521 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -87.07 101.2 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.023 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -91.48 159.16 39.53 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.359 -0.837 . . . . 10.0 109.138 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -36.23 -31.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.42 2.746 . . . . 10.0 112.904 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -90.55 113.66 25.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.91 145.44 51.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.677 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -141.42 138.41 32.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.306 0.574 . . . . 10.0 110.407 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.2 -1.16 76.02 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 115.28 -0.873 . . . . 10.0 113.616 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.43 67.05 6.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.59 . . . . 10.0 111.169 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.429 HG21 ' H ' ' A' ' 45' ' ' SER . 38.1 mm -72.59 125.27 91.35 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.756 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.2 -27.65 81.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.116 2.544 . . . . 10.0 113.302 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.429 ' H ' HG21 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -69.88 -14.11 62.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.512 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.713 ' O ' ' HA ' ' B' ' 102' ' ' SER . 25.5 mmtp -86.28 -48.04 8.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.388 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.6 74.13 62.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.517 ' HD2' ' O ' ' B' ' 102' ' ' SER . 72.0 Cg_endo -78.42 -5.97 15.24 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.558 2.172 . . . . 10.0 112.189 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -79.84 -0.98 36.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.718 . . . . 10.0 111.661 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -106.24 6.47 30.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t30 62.73 48.09 4.37 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.478 0.656 . . . . 10.0 111.416 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tp -81.23 83.78 6.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.413 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -122.87 158.61 29.96 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.031 0.443 . . . . 10.0 111.986 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt 53.63 -117.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.288 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -150.28 36.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.673 0.749 . . . . 10.0 109.828 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -86.0 157.71 20.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.735 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.2 t -85.41 120.87 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.012 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -135.56 172.71 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.995 0.426 . . . . 10.0 110.929 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -125.15 86.49 56.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.67 -7.13 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.856 2.371 . . . . 10.0 114.215 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' B' ' 112' ' ' LEU . 6.5 t70 -105.83 -11.17 16.33 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 47.3 mtm105 72.98 21.94 3.11 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.997 0.519 . . . . 10.0 111.515 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.6 p-10 -69.88 -173.7 0.66 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.979 0.418 . . . . 10.0 111.368 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mp -48.49 -47.66 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.784 1.031 . . . . 10.0 113.784 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -157.08 148.3 16.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.479 -0.488 . . . . 10.0 112.209 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.65 149.17 19.4 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.243 2.629 . . . . 10.0 112.723 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -157.6 172.44 18.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.743 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.626 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 12.5 p -161.15 163.33 31.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.634 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.7 154.8 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.455 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.65 140.73 52.52 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.002 0.429 . . . . 10.0 110.608 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.98 39.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.654 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.65 123.93 29.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.4 -15.12 28.15 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.098 2.532 . . . . 10.0 114.251 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -101.97 -26.42 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.841 0.353 . . . . 10.0 111.503 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -122.92 107.75 12.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.339 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' CZ ' ' HG3' ' B' ' 122' ' ' GLU . 50.0 mtm180 -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -152.51 158.55 42.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -146.46 152.12 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.645 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.69 154.25 26.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.013 0.435 . . . . 10.0 110.672 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.68 126.4 50.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.79 120.69 29.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.103 0.478 . . . . 10.0 110.92 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.82 134.67 25.86 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.373 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -44.34 126.93 7.02 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.468 2.779 . . . . 10.0 113.38 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -93.34 149.27 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.624 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' MET . 15.5 t -81.75 113.17 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.137 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.99 -71.69 0.53 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.185 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.189 -0.91 . . . . 10.0 109.735 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.892 -0.483 . . . . 10.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 66.2 m -155.0 -53.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 10.0 111.372 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 t -110.53 -24.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 10.0 110.785 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -85.24 159.24 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.275 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.32 132.84 53.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.374 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 11.0 m 76.31 -45.74 0.52 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.86 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.69 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.24 -45.06 68.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.889 0.376 . . . . 10.0 111.308 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.47 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . 0.42 ' CD ' ' HZ1' ' A' ' 46' ' ' LYS . 25.6 tt0 -67.63 -39.42 84.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.311 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.477 ' CD2' ' HA ' ' A' ' 61' ' ' ASP . 17.6 tp -66.81 -42.05 86.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -64.14 -43.81 94.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.23 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.541 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 36.6 mmt-85 -63.71 -37.74 88.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.447 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.33 -36.6 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 10.0 110.13 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -38.94 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.826 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.37 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.259 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 3.9 mm-40 -78.96 -39.92 33.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.921 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . 0.441 ' HB3' ' CZ ' ' B' ' 119' ' ' ARG . 1.1 mtm105 -73.4 -33.38 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.188 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.23 -19.32 63.94 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.623 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.519 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -81.91 -49.49 10.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.764 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . 0.418 ' N ' ' HG2' ' B' ' 122' ' ' GLU . . . -62.22 -41.16 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.1 -20.55 60.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.36 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.35 -28.68 42.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.519 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 4.9 mm-40 -56.04 -31.27 62.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.653 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . 0.422 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 17.5 ttt180 -65.65 -44.8 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.46 -38.27 90.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.61 -37.88 74.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.938 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 30.5 m -69.35 -42.5 75.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.608 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 80.7 mt-10 -64.35 -26.01 68.28 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.385 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -39.69 63.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 10.0 110.158 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.82 -59.8 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.214 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -106.94 109.58 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.49 -13.04 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.708 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.86 14.81 1.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 10.0 110.639 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -100.86 -4.56 27.6 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -90.07 65.71 6.57 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 106.518 -1.66 . . . . 10.0 106.518 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -83.7 -10.98 57.79 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 118.117 2.636 . . . . 10.0 118.117 -174.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -98.45 -92.54 0.25 Allowed 'General case' 0 C--N 1.351 0.637 1 C-N-CA 109.48 -4.888 . . . . 10.0 111.661 -175.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -106.98 -81.65 0.55 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 118.158 -1.417 . . . . 10.0 112.336 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -109.3 -57.22 2.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 122.632 1.206 . . . . 10.0 109.782 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.91 153.05 21.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 112.733 -2.03 . . . . 10.0 108.843 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -99.81 1.97 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.198 0.523 . . . . 10.0 110.566 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.28 -21.97 65.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.816 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -107.56 -26.51 10.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.726 0.298 . . . . 10.0 111.277 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.2 -63.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.894 0.378 . . . . 10.0 111.508 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.65 -61.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.75 -175.99 3.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -92.33 124.99 36.79 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.8 163.98 27.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 10.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.644 -0.693 . . . . 10.0 110.15 -179.541 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.938 0.399 . . . . 10.0 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m -118.9 173.94 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.503 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -78.22 -36.12 47.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.201 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.4 ' C ' ' HG ' ' A' ' 5' ' ' SER . 54.9 m-85 -102.65 -166.89 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.152 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' HG ' ' C ' ' A' ' 4' ' ' PHE . 27.0 m -152.71 116.52 4.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.655 0.264 . . . . 10.0 111.042 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -103.34 75.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.618 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -135.7 136.63 41.02 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.5 m -113.03 126.38 55.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.463 0.649 . . . . 10.0 111.408 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.86 168.59 10.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.931 -1.031 . . . . 10.0 110.506 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -61.4 -50.32 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.601 0.239 . . . . 10.0 110.729 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.22 -52.23 0.47 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.51 -1.328 . . . . 10.0 114.517 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 p -101.53 -4.83 26.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.723 0.762 . . . . 10.0 112.905 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.94 -6.72 47.15 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.914 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.34 -29.72 64.22 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.092 0.404 . . . . 10.0 112.092 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.96 20.73 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.457 . . . . 10.0 111.185 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -83.4 119.96 25.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -120.78 69.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.78 170.07 23.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.427 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -101.11 38.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.549 . . . . 10.0 110.718 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 tt -90.37 120.68 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.803 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -121.82 13.11 10.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.404 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -129.1 150.95 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.172 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -94.46 -170.6 2.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.671 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.06 -24.57 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.605 -0.438 . . . . 10.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -94.67 25.39 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.51 -0.76 16.8 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.173 -1.013 . . . . 10.0 115.351 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.9 mt -66.15 126.12 27.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.437 0.619 . . . . 10.0 111.458 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.91 129.52 34.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.295 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.68 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 44.5 t -73.86 134.75 43.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.588 0.709 . . . . 10.0 112.804 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.95 142.39 40.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.513 -1.221 . . . . 10.0 109.882 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.19 129.91 41.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 10.0 110.593 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.03 -51.84 67.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.492 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.3 6.25 10.43 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.8 t -100.65 133.15 45.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 10.0 111.111 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -81.26 92.29 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.701 0.762 . . . . 10.0 109.759 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 155.65 41.43 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.86 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -43.73 -27.88 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 123.465 2.776 . . . . 10.0 112.328 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -90.85 107.17 19.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.72 146.65 54.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.772 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -145.74 142.6 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.5 0.667 . . . . 10.0 110.829 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.92 4.67 71.9 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.114 -0.948 . . . . 10.0 113.92 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.1 63.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.345 0.573 . . . . 10.0 111.855 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.3 mm -73.54 129.59 85.27 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.274 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.08 -24.37 32.59 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.489 2.792 . . . . 10.0 113.997 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.0 m -68.77 -9.47 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.586 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -89.91 -53.2 4.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.231 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -121.16 84.83 40.67 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-O 120.795 0.331 . . . . 10.0 111.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.46 -8.33 14.93 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.385 2.057 . . . . 10.0 112.221 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -76.06 -12.66 60.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.779 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.03 -2.81 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.701 0.286 . . . . 10.0 110.847 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t30 63.31 58.96 1.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.86 89.63 5.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.685 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.0 153.92 46.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.087 0.47 . . . . 10.0 112.083 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 56.7 -118.43 1.17 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.069 -0.969 . . . . 10.0 112.615 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -148.24 35.96 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.693 0.758 . . . . 10.0 109.686 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -82.49 154.45 25.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.967 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.05 120.3 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.845 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -136.23 167.13 21.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 10.0 111.134 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -112.2 97.31 38.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -92.32 -15.25 1.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.635 2.223 . . . . 10.0 115.284 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.583 ' OD2' ' HG ' ' B' ' 112' ' ' LEU . 14.7 t70 -103.41 -10.97 18.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.718 0.69 . . . . 10.0 112.59 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 60.5 mtm180 74.25 21.98 2.34 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.599 0.714 . . . . 10.0 109.207 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.79 -161.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.345 -1.298 . . . . 10.0 111.993 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.78 -48.33 41.17 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.567 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 11.6 ptp180 -168.63 163.3 8.19 Favored Pre-proline 0 C--N 1.323 -0.545 0 C-N-CA 120.714 -0.394 . . . . 10.0 111.376 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.93 147.38 33.14 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.571 2.181 . . . . 10.0 112.543 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . 0.4 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 49.9 p-90 -154.33 167.02 31.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.234 -178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.68 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 5.9 p -157.44 163.39 38.56 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.864 0.364 . . . . 10.0 110.851 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -78.39 155.61 29.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.436 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.01 149.09 51.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.138 0.494 . . . . 10.0 111.785 -176.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -79.5 27.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.133 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.45 119.7 47.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.98 -16.08 8.46 Favored 'Trans proline' 0 N--CA 1.481 0.746 0 C-N-CA 123.784 2.989 . . . . 10.0 115.087 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -104.18 -22.45 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.134 -0.354 . . . . 10.0 111.277 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -122.44 96.36 5.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -65.17 -37.27 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.229 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -156.41 163.25 39.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.342 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -154.79 161.69 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.403 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.468 ' HB3' ' HD2' ' A' ' 65' ' ' ARG . 76.5 m-85 -90.65 139.89 30.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.104 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.5 136.76 45.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.772 0.32 . . . . 10.0 110.236 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.567 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.3 t70 -88.35 113.86 24.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 10.0 111.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mt -124.99 133.03 24.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.465 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.22 129.72 6.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.567 2.844 . . . . 10.0 114.304 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -102.64 154.25 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.204 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.5 125.67 36.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 10.0 111.054 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.05 -67.21 0.88 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.155 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.27 -0.871 . . . . 10.0 109.496 179.047 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.489 ' HA3' ' HG2' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.306 -0.318 . . . . 10.0 112.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.17 -52.49 3.99 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.032 0.752 . . . . 10.0 113.032 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.12 -10.09 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.749 0.648 . . . . 10.0 112.749 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.489 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 3.7 pt-20 -71.82 -33.56 68.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.201 -0.2 . . . . 10.0 111.461 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 143.99 36.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.56 116.06 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.732 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 3.0 m 62.48 96.73 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.12 178.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.01 85.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.465 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.213 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.53 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 10.0 111.107 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -41.71 79.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.523 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . 0.583 ' HG ' ' OD2' ' A' ' 61' ' ' ASP . 10.3 tp -67.49 -35.06 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.728 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.02 -41.68 81.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 21.4 mmt180 -67.69 -36.4 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.243 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.74 -33.21 74.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.479 0.657 . . . . 10.0 109.612 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . 0.445 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 36.2 tttt -66.5 -39.08 88.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.903 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -69.66 -23.71 63.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.075 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 23.2 mm-40 -78.38 -45.84 21.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.078 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -70.69 -34.53 72.07 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.395 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.445 ' HB3' ' O ' ' B' ' 116' ' ' LYS . 0.0 OUTLIER -61.31 -49.3 77.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.998 179.343 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.23 -19.92 62.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 10.0 110.199 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -77.13 -52.53 9.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.579 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.65 88.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.194 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' B' ' 120' ' ' HIS . 3.3 mt-10 -72.4 -23.48 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.692 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -76.69 -38.41 54.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -63.77 -28.11 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.518 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -39.59 94.18 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.577 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.48 -28.45 56.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.736 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.2 -33.42 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.18 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.35 -27.77 38.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.411 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.432 ' OE1' ' HG3' ' B' ' 138' ' ' LYS . 78.9 mt-10 -66.09 -19.52 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.465 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.42 70.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 10.0 110.399 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.96 -56.4 22.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.47 129.71 37.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.887 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.85 -18.51 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.41 -41.35 73.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 10.0 110.754 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -76.41 -6.11 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . 0.432 ' HG3' ' OE1' ' B' ' 131' ' ' GLU . 62.2 tttp -65.91 -16.75 64.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.188 0.518 . . . . 10.0 110.598 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.52 -42.76 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.268 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . 0.438 ' O ' ' HB3' ' B' ' 143' ' ' LYS . . . -82.22 -48.67 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.564 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -48.96 61.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -49.92 -12.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.606 1.335 . . . . 10.0 114.606 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' B' ' 140' ' ' ALA . 1.7 pttp -47.9 -19.35 0.23 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.51 54.29 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.678 0.275 . . . . 10.0 110.726 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.36 -38.71 69.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.841 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -40.29 93.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.306 0.574 . . . . 10.0 109.937 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.26 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.878 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -77.85 -11.06 59.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.589 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 27.3 mt -76.61 -10.74 59.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.394 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -80.93 -77.45 0.2 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.717 0.294 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -158.86 -157.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 13.9 p90 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.197 -0.906 . . . . 10.0 110.219 179.312 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -105.12 -177.97 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 10.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -84.35 139.91 31.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.342 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -111.72 139.08 47.48 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -123.44 131.95 53.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -113.53 -9.77 13.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.71 0.263 . . . . 10.0 111.71 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.49 166.78 4.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.702 0.287 . . . . 10.0 110.743 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 m -105.82 126.29 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.561 0.696 . . . . 10.0 110.954 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.07 168.98 10.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.287 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -69.02 -50.36 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.54 -58.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 119.533 -1.318 . . . . 10.0 114.592 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -101.11 -2.04 32.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.466 0.633 . . . . 10.0 112.271 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.5 23.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.596 -0.812 . . . . 10.0 113.803 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.2 tt0 -61.42 -39.96 92.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 10.0 111.446 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -92.64 17.78 9.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.996 0.426 . . . . 10.0 111.113 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -99.86 131.87 45.57 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -128.25 78.27 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.77 14.57 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.673 -0.775 . . . . 10.0 112.745 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -86.34 47.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.187 0.518 . . . . 10.0 111.035 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tt -96.48 113.06 29.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 2.31 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.186 0.517 . . . . 10.0 110.737 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -113.29 149.28 34.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.701 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 34.4 p -98.03 176.28 5.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.92 -30.31 70.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.889 0.376 . . . . 10.0 110.513 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -89.82 24.73 2.28 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.8 -4.09 8.19 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.968 1.147 . . . . 10.0 115.968 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.64 128.92 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.757 0.778 . . . . 10.0 111.772 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.1 136.35 44.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.376 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.7 t -71.17 140.01 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.736 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -76.19 147.97 38.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.729 -1.123 . . . . 10.0 109.974 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -73.0 132.67 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 10.0 110.625 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -70.29 -53.43 16.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -71.24 -14.61 62.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.0 m -97.32 130.27 44.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.969 0.414 . . . . 10.0 111.62 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.79 110.29 15.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.381 0.61 . . . . 10.0 109.677 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 155.92 42.96 Favored Pre-proline 0 C--N 1.313 -0.997 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.819 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -32.63 -43.78 0.19 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 124.305 3.337 . . . . 10.0 113.414 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -80.65 104.3 11.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 144.09 57.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.204 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.18 142.52 30.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 110.275 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.22 1.82 65.07 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-N 115.485 -0.779 . . . . 10.0 113.323 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.85 64.02 3.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.127 0.489 . . . . 10.0 112.03 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mm -74.03 129.6 84.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.338 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.61 -28.96 68.05 Favored 'Trans proline' 0 N--CA 1.482 0.813 0 C-N-CA 123.669 2.912 . . . . 10.0 113.848 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -10.66 39.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.059 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -87.73 -54.38 4.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.794 -0.184 . . . . 10.0 111.274 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE1' ' HB1' ' B' ' 108' ' ' ALA . 49.8 m-85 -122.0 84.3 44.87 Favored Pre-proline 0 C--O 1.234 0.283 0 CA-C-O 120.8 0.333 . . . . 10.0 111.039 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.67 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.596 2.198 . . . . 10.0 112.276 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.98 -10.77 59.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.373 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -103.02 2.57 35.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.702 0.287 . . . . 10.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.61 62.1 2.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.793 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.29 91.61 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.89 149.44 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 55.01 -110.16 0.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.873 -1.058 . . . . 10.0 112.609 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -151.27 36.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.595 0.712 . . . . 10.0 109.6 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -79.84 151.55 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.5 t -84.68 127.76 34.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.492 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.62 173.86 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.888 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.484 HD22 ' CG ' ' A' ' 63' ' ' ASP . 10.8 t-20 -119.85 94.94 48.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 121.056 0.455 . . . . 10.0 110.219 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.38 -8.2 1.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.598 2.199 . . . . 10.0 114.103 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.25 -6.74 27.51 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.948 -0.47 . . . . 10.0 112.211 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 68.89 22.83 6.99 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 10.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.484 ' CG ' HD22 ' A' ' 59' ' ' ASN . 4.3 p30 -75.07 -158.13 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.337 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.36 -47.94 80.32 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -170.94 159.4 5.47 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 112.094 0.405 . . . . 10.0 112.094 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_exo -45.28 142.79 5.86 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.903 3.069 . . . . 10.0 114.728 -179.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -157.84 168.91 25.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.426 -1.261 . . . . 10.0 108.162 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.0 p -163.19 163.31 25.62 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.643 -0.423 . . . . 10.0 111.552 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -76.82 156.18 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.206 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.14 146.08 50.52 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.676 -0.409 . . . . 10.0 111.042 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -79.34 36.89 0.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 10.0 112.068 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 127.85 26.43 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.65 -13.99 33.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.012 2.475 . . . . 10.0 114.217 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -99.84 -26.6 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.165 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -123.25 106.37 10.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.694 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 10.0 110.547 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -153.17 163.83 39.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.077 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.65 166.56 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 10.0 111.695 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.38 146.31 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.092 -0.958 . . . . 10.0 111.536 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.701 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 3.4 m -117.1 129.51 56.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.738 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.47 117.7 26.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 10.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -121.56 130.08 24.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.211 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -47.63 135.68 21.55 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.273 2.649 . . . . 10.0 113.347 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -98.28 154.55 17.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.142 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.5 t -73.7 165.42 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.47 119.0 16.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.78 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.345 -0.836 . . . . 10.0 110.407 -179.672 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLY . . . . . 0.4 ' H3 ' ' CD ' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.533 -0.627 . . . . 10.0 111.533 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -22.81 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 10.0 111.684 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.0 t -84.38 -58.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 10.0 109.793 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' GLU . . . . . 0.4 ' CD ' ' H3 ' ' B' ' 101' ' ' GLY . 0.2 OUTLIER -81.21 89.73 6.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.833 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -132.8 31.06 3.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.413 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 63.0 mt -73.29 140.84 47.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.672 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.08 49.93 16.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.211 0.529 . . . . 10.0 110.488 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ALA . . . . . 0.419 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -56.78 -44.07 81.49 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.297 -0.865 . . . . 10.0 112.486 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.09 -45.72 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 10.0 111.404 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.74 81.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 10.0 110.502 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -52.67 63.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.173 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.87 -38.82 92.4 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.516 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.369 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.94 -37.15 83.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' B' ' 119' ' ' ARG . 51.3 mt -59.62 -39.14 83.3 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -61.82 -40.91 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.204 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -65.88 -29.3 69.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.555 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.25 -41.26 57.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' B' ' 115' ' ' LEU . 3.1 mtm105 -66.53 -28.98 68.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.92 -49.76 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.543 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -67.81 -20.37 65.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 36.5 tt0 -77.75 -50.56 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.16 -46.23 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.829 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.48 -27.56 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.237 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -75.44 -37.82 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 6.9 mm-40 -60.01 -30.76 69.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.323 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -43.5 98.37 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.9 -33.05 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.34 -35.17 75.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.697 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.7 m -62.65 -39.33 93.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' GLU . . . . . 0.431 ' HB3' ' HD2' ' B' ' 138' ' ' LYS . 74.3 mt-10 -71.83 -35.19 69.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.234 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.17 92.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.79 -53.12 61.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.255 -0.884 . . . . 10.0 110.963 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -109.56 108.68 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.845 0.355 . . . . 10.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -64.37 -22.87 67.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.059 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.11 -55.52 13.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.048 0.451 . . . . 10.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.73 -41.22 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.852 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 138' ' ' LYS . . . . . 0.431 ' HD2' ' HB3' ' B' ' 131' ' ' GLU . 1.1 tttp -50.22 -47.16 54.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.012 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.7 -41.02 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.354 -0.216 . . . . 10.0 111.288 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.0 -45.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.758 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -15.71 61.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.662 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -89.14 -39.79 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -43.23 -48.17 6.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 114.991 -1.004 . . . . 10.0 112.268 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.5 60.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.38 -34.59 70.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 10.0 110.745 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.38 -27.82 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.915 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.61 -45.08 17.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.03 -66.15 0.57 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 10.0 111.035 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.88 70.94 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.221 0.534 . . . . 10.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -97.41 127.57 43.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.316 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.09 171.96 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.49 . . . . 10.0 111.124 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 C--O 1.245 0.837 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.635 179.419 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.28 0.562 . . . . 10.0 111.534 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.558 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.4 mmt -99.93 169.14 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -69.78 -53.55 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.215 -0.194 . . . . 10.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.19 -57.92 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 119.115 -1.517 . . . . 10.0 115.038 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -2.79 28.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.816 0.808 . . . . 10.0 112.946 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.98 2.26 29.91 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.618 -0.801 . . . . 10.0 112.915 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 2.5 tm-20 -66.18 -29.67 70.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.934 0.494 . . . . 10.0 112.285 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -111.69 21.08 16.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 10.0 110.806 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -100.57 136.88 39.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.774 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -128.72 76.8 1.74 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.232 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.23 166.21 26.89 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.752 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -94.48 53.37 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 10.0 110.499 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -101.76 119.34 49.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.826 -1.079 . . . . 10.0 109.789 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 p -121.17 14.38 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 10.0 111.41 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -129.01 157.82 40.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.629 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.1 p -100.03 170.46 8.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.62 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 ptp -67.01 -24.8 66.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.017 0.437 . . . . 10.0 110.403 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 m -91.86 25.59 2.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -4.85 6.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.166 1.226 . . . . 10.0 116.166 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.47 131.66 38.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.834 0.817 . . . . 10.0 111.725 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.93 135.45 41.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.447 -0.797 . . . . 10.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 29.7 t -78.92 138.51 38.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.317 0.58 . . . . 10.0 111.634 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 23.0 tt0 -74.36 149.83 40.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.869 -1.059 . . . . 10.0 110.246 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -74.74 138.15 42.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.4 -53.63 52.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -83.07 4.44 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.94 0.718 . . . . 10.0 112.94 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 74.4 m -98.01 126.27 43.36 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.178 -0.209 . . . . 10.0 110.557 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -81.84 92.23 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 10.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.36 158.37 38.96 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.749 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -38.83 -33.99 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.184 2.589 . . . . 10.0 112.136 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 42.3 m170 -82.87 100.46 10.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.25 143.05 57.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.766 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -135.99 134.85 39.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.024 0.44 . . . . 10.0 109.915 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.27 -1.33 75.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.759 -0.734 . . . . 10.0 113.275 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.78 75.01 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.488 -0.419 . . . . 10.0 111.089 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 45' ' ' SER . 26.2 mm -73.48 125.73 90.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.211 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 32.5 Cg_exo -59.38 -25.34 78.15 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.256 2.637 . . . . 10.0 113.265 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.438 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -65.51 -20.27 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 10.0 110.713 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -103.06 0.24 31.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.949 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -146.89 57.28 3.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.121 -0.945 . . . . 10.0 110.771 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.33 -15.17 16.06 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.096 1.864 . . . . 10.0 112.23 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -96.57 11.53 34.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.122 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -107.68 3.42 24.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 57.67 46.38 17.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.357 0.599 . . . . 10.0 111.26 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.81 87.99 5.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.81 150.42 49.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.122 0.487 . . . . 10.0 112.176 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 52.62 -114.38 0.84 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.834 -1.075 . . . . 10.0 112.696 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -148.4 34.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.641 0.734 . . . . 10.0 109.937 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.43 148.47 30.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -81.41 121.7 26.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.308 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -137.14 179.56 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.847 0.356 . . . . 10.0 110.875 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 40.1 t-20 -117.35 87.77 25.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -81.91 -23.04 4.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.752 2.302 . . . . 10.0 114.711 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.582 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . 3.0 t0 -104.44 2.95 31.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.384 0.538 . . . . 10.0 111.915 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 88.9 mtm180 68.78 30.85 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.674 0.75 . . . . 10.0 110.05 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.582 ' OD1' ' HB3' ' A' ' 61' ' ' ASP . 5.7 m-20 -64.9 174.08 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.339 -1.3 . . . . 10.0 111.52 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.73 -44.31 48.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.652 -1.158 . . . . 10.0 110.406 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -150.79 156.28 35.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.063 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HG2' HD12 ' A' ' 82' ' ' ILE . 48.1 Cg_exo -56.04 153.43 32.26 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.838 2.359 . . . . 10.0 112.627 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -151.62 163.35 39.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 6.0 p -151.58 156.62 40.85 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.192 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -77.54 155.0 31.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.67 140.38 52.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.816 -0.353 . . . . 10.0 111.56 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 32.76 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 10.0 111.056 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -116.0 118.79 37.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.725 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.67 -19.17 1.91 Allowed 'Trans proline' 0 N--CA 1.479 0.667 0 C-N-CA 124.213 3.275 . . . . 10.0 115.507 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.55 -23.66 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.0 -0.437 . . . . 10.0 112.17 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -123.92 101.99 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.308 0.114 . . . . 10.0 111.308 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -59.69 -45.58 91.67 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.752 0.311 . . . . 10.0 111.034 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -159.22 163.68 35.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.099 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -150.8 161.54 42.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.075 0.464 . . . . 10.0 111.382 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -85.52 158.74 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.434 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.1 t -120.84 125.6 47.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.273 -0.171 . . . . 10.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -88.92 115.34 26.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.231 0.539 . . . . 10.0 110.924 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.409 HD12 ' HG2' ' A' ' 66' ' ' PRO . 32.7 mt -122.34 136.21 26.26 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.55 133.54 12.99 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.296 2.664 . . . . 10.0 112.569 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -106.05 155.26 19.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.826 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' MET . 49.6 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.524 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.04 88.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.876 0.37 . . . . 10.0 111.047 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 26.0 tt0 -65.94 -38.72 89.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.831 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -64.92 -43.5 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.006 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.3 -42.98 96.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.203 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 14.2 mmt180 -66.56 -36.88 83.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.436 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 85.7 mt -63.41 -33.24 75.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.284 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -63.19 -41.57 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.3 -29.95 69.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.809 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -71.57 -42.37 67.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.46 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -65.68 -37.36 86.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.029 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -46.31 85.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.439 -0.801 . . . . 10.0 110.068 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.68 -24.99 62.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.12 -51.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 10.0 111.418 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.58 84.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 10.0 111.164 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -77.55 -22.19 51.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.416 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.06 -33.83 61.75 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.001 -1.111 . . . . 10.0 108.001 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.341 177.763 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -98.73 -17.49 18.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 117.528 2.418 . . . . 10.0 117.528 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.49 -72.85 0.5 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 120.501 3.519 . . . . 10.0 120.501 -170.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.29 -81.8 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 120.551 3.537 . . . . 10.0 120.551 -173.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -56.89 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 119.22 3.044 . . . . 10.0 119.22 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -34.86 -48.71 0.41 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.462 2.023 . . . . 10.0 116.462 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.12 -59.55 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.962 0.801 . . . . 10.0 110.92 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.06 -43.89 51.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.272 -0.876 . . . . 10.0 112.113 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.78 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -50.18 -52.35 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.728 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -63.12 -62.82 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.313 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp 58.47 -114.84 0.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.532 0.52 . . . . 10.0 110.197 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.643 0.258 . . . . 10.0 110.81 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 mmt -94.2 169.34 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.53 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.57 -53.33 49.45 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.583 -0.281 . . . . 10.0 110.832 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 155.56 -52.18 0.44 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.406 -1.378 . . . . 10.0 114.376 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -3.75 29.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.65 -14.42 18.35 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.013 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.51 -32.91 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.921 0.391 . . . . 10.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -102.87 18.33 21.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.956 0.408 . . . . 10.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -90.6 123.72 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.375 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -126.27 76.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.44 161.9 13.51 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.67 -0.776 . . . . 10.0 113.313 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -86.68 48.75 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 10.0 111.771 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 tt -97.1 116.36 39.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.119 0.485 . . . . 10.0 110.012 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -107.54 8.16 29.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -129.25 161.04 31.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.498 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.411 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -101.51 -167.25 1.39 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -74.17 -27.82 61.01 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.28 26.61 3.69 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.151 0.797 . . . . 10.0 113.151 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.64 -5.3 5.92 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 116.47 1.348 . . . . 10.0 116.47 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.39 136.12 54.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 118.449 1.124 . . . . 10.0 112.183 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.62 128.8 36.03 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.698 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.1 t -75.42 136.42 40.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.659 0.742 . . . . 10.0 112.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.31 138.26 40.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.73 -1.123 . . . . 10.0 110.002 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.28 135.78 55.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.25 . . . . 10.0 110.337 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.69 -52.33 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.321 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.36 3.22 16.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 11.7 t -98.93 135.07 40.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.92 0.391 . . . . 10.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -91.41 90.13 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.462 0.648 . . . . 10.0 110.036 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.84 157.97 35.03 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.069 -0.968 . . . . 10.0 109.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -35.48 -35.31 0.13 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.589 2.859 . . . . 10.0 113.126 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 76' ' ' ARG . 4.8 m-70 -83.98 102.73 12.67 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.85 152.47 45.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.98 145.73 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.497 0.665 . . . . 10.0 111.633 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.21 -4.06 58.63 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 115.145 -0.934 . . . . 10.0 113.01 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -87.54 63.32 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.287 0.565 . . . . 10.0 110.826 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 45' ' ' SER . 30.8 mm -72.57 125.92 91.06 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.256 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 52.9 Cg_exo -57.44 -23.86 57.89 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.387 2.724 . . . . 10.0 113.384 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m -68.34 -12.68 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.7 -52.55 5.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.52 81.56 31.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.484 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.41 -4.02 13.39 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.411 2.074 . . . . 10.0 112.07 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -84.16 5.87 24.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.197 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -111.19 5.97 20.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.639 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.15 51.52 10.21 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.216 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.9 mp -80.59 73.65 7.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.233 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.84 155.87 24.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.621 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 54.53 -113.58 0.8 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.21 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -151.94 34.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 10.0 110.379 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -79.39 157.68 27.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.473 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.9 t -87.37 128.49 35.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.871 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.02 169.84 22.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -110.06 99.37 39.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 10.0 109.992 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.91 -15.55 1.3 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.55 2.167 . . . . 10.0 114.187 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' B' ' 112' ' ' LEU . 14.2 t70 -95.76 -12.65 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.163 -0.335 . . . . 10.0 111.814 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 15.0 mtm180 73.36 24.79 2.29 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.896 0.855 . . . . 10.0 108.952 -177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -78.03 -165.61 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.495 -1.229 . . . . 10.0 111.963 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.39 -47.57 72.56 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 34.3 ptt180 -161.8 152.78 15.11 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.501 -0.479 . . . . 10.0 112.099 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.05 146.6 16.91 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.142 2.561 . . . . 10.0 112.732 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 42.0 p-90 -154.12 171.72 18.69 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.543 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -158.53 160.87 37.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.73 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.18 155.92 31.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.566 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.16 140.73 52.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.017 0.437 . . . . 10.0 111.407 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.16 37.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.938 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.4 118.19 37.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.54 -11.46 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.513 2.809 . . . . 10.0 115.022 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -101.16 -26.72 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.997 -0.439 . . . . 10.0 111.199 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -122.77 108.89 13.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.428 ' HA ' ' CD2' ' A' ' 38' ' ' HIS . 57.8 mtt180 -67.0 -40.44 87.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.733 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -153.65 161.62 41.99 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 10.0 110.072 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -150.85 155.12 38.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.998 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 85.9 m-85 -95.89 147.5 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.285 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 2.7 t -113.44 145.11 41.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.37 126.24 35.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.779 0.323 . . . . 10.0 111.395 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.58 129.78 24.91 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.86 131.98 21.33 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.216 2.61 . . . . 10.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.41 150.93 20.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 10.0 110.894 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.436 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 14.1 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.389 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.7 90.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 10.0 110.657 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.1 tt0 -67.99 -37.32 81.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.535 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 61' ' ' ASP . 28.0 tp -65.0 -42.73 94.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.64 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.77 -41.89 92.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.041 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -70.21 -33.6 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.522 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 74.0 mt -58.46 -38.39 77.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -66.84 -39.03 87.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.111 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.03 -32.01 71.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.111 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -80.51 -43.32 20.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.514 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -69.38 -36.0 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.792 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.07 81.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.605 -0.438 . . . . 10.0 109.881 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 18.1 mm-40 -66.73 -24.01 66.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.162 0.506 . . . . 10.0 109.932 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.32 -47.21 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.718 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.51 91.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.662 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.39 -30.78 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 121' ' ' GLU . 16.4 mt -67.06 -38.3 85.55 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.872 178.078 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tttp . . . . . 0 C--O 1.234 0.269 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.83 -19.47 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.098 -0.376 . . . . 10.0 111.852 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.24 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 10.0 110.787 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.12 -15.79 16.2 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -62.59 -12.59 23.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.076 0.465 . . . . 10.0 111.214 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.74 -18.16 63.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.05 64.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.81 -39.22 76.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.32 -25.82 58.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.97 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.75 -32.02 46.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.79 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -78.87 -46.59 18.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.98 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.6 146.15 40.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 10.0 110.461 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.817 -179.639 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 121.269 0.557 . . . . 10.0 110.345 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.445 ' HG3' HG22 ' A' ' 82' ' ' ILE . 12.2 mmt -98.11 168.5 10.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.313 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -56.41 -46.4 80.2 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.518 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.42 -44.55 0.83 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.182 -1.009 . . . . 10.0 113.008 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -3.08 32.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.98 0.39 . . . . 10.0 111.744 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.71 -20.18 3.71 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.835 -0.697 . . . . 10.0 114.198 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -58.48 -43.42 88.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.017 0.408 . . . . 10.0 111.637 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -86.95 16.65 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 10.0 111.568 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -101.58 133.06 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.12 82.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.32 158.72 15.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.284 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -93.67 47.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 10.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 tt -102.33 120.1 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.645 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.24 22.75 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.242 0.544 . . . . 10.0 110.778 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -124.56 152.25 43.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.07 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -100.4 -175.65 2.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.617 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.45 -31.27 68.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.888 0.375 . . . . 10.0 111.484 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -93.94 26.99 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.97 -2.19 8.97 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.002 -1.094 . . . . 10.0 115.786 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.42 130.85 43.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.583 0.692 . . . . 10.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.5 128.73 35.96 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.336 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.98 138.35 47.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 10.0 112.713 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 3.0 tt0 -82.08 142.16 32.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.231 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -68.33 136.69 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.622 0.248 . . . . 10.0 111.41 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -60.36 -52.67 64.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.124 -0.489 . . . . 10.0 112.266 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -78.49 2.77 17.92 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t -98.35 126.57 43.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.121 0.486 . . . . 10.0 111.002 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.79 94.97 7.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.199 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 p -95.81 156.89 36.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.786 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -36.09 -42.44 0.6 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.874 3.049 . . . . 10.0 112.541 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -78.99 116.73 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.02 147.08 50.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.637 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -144.6 134.25 23.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.199 0.523 . . . . 10.0 110.066 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.53 82.01 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.556 -0.747 . . . . 10.0 113.762 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.25 68.34 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.322 0.561 . . . . 10.0 111.34 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 45' ' ' SER . 41.5 mm -71.97 124.85 91.46 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.514 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 55.6 Cg_endo -68.5 -13.34 37.18 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 123.237 2.625 . . . . 10.0 113.269 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 43' ' ' ILE . 4.4 m -75.6 -11.62 60.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.639 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 69.3 mmtt -90.84 -47.2 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.216 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.49 82.61 15.66 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.538 0.209 . . . . 10.0 111.35 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 3.1 Cg_exo -80.22 -6.63 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.812 2.342 . . . . 10.0 112.453 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -84.89 6.51 24.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.466 . . . . 10.0 112.101 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.54 8.69 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.711 0.291 . . . . 10.0 111.117 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.2 t30 53.78 53.55 11.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.847 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.1 mp -80.87 78.36 7.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.871 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -123.13 160.89 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.928 0.394 . . . . 10.0 111.982 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.27 -119.53 1.34 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.004 -0.998 . . . . 10.0 112.33 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -148.88 34.09 0.76 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.69 . . . . 10.0 109.994 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.85 155.07 24.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 39.6 t -80.86 120.23 24.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.741 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -135.43 -179.66 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 10.0 110.767 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.413 HD21 ' CG ' ' A' ' 63' ' ' ASP . 11.2 t-20 -142.07 85.82 10.71 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.999 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -84.64 0.07 9.16 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.117 1.878 . . . . 10.0 114.818 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.494 ' OD1' ' HD3' ' B' ' 116' ' ' LYS . 10.0 t70 -107.64 -11.16 15.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.0 0.818 . . . . 10.0 112.284 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 82.1 mtm180 72.06 26.02 2.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.984 0.513 . . . . 10.0 111.718 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.5 p30 -71.24 -162.54 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.795 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.7 mp -52.19 -49.23 64.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 33.1 ptt180 -169.01 155.01 6.33 Favored Pre-proline 0 N--CA 1.465 0.298 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HA ' HD22 ' A' ' 59' ' ' ASN . 89.2 Cg_exo -47.13 144.89 8.3 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.676 2.917 . . . . 10.0 114.101 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.458 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 61.7 p-90 -161.81 170.1 20.15 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.218 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.9 p -162.61 168.58 21.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.821 0.344 . . . . 10.0 110.586 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -76.96 155.02 33.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.95 144.65 50.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.97 0.414 . . . . 10.0 111.569 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -78.31 27.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.807 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.64 119.36 52.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.66 -17.81 30.44 Favored 'Trans proline' 0 N--CA 1.476 0.483 0 C-N-CA 123.171 2.58 . . . . 10.0 113.483 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -97.98 -21.54 16.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.465 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -124.67 103.94 8.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 39.6 mtt180 -57.13 -43.34 82.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.953 0.406 . . . . 10.0 111.137 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -156.03 163.17 40.02 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.223 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -148.44 154.62 40.13 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.523 0.514 . . . . 10.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.46 158.32 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.493 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.7 t -125.34 130.14 51.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.48 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -88.63 116.3 26.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.847 0.356 . . . . 10.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' A' ' 9' ' ' MET . 37.9 mt -117.96 135.25 23.34 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -50.24 132.35 33.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.179 2.586 . . . . 10.0 113.251 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -102.91 153.46 20.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.052 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.465 0.325 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -36.98 83.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.691 0.282 . . . . 10.0 110.777 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 3.3 tp10 -60.48 -48.16 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.49 -39.1 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -61.5 -42.48 98.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.015 0.436 . . . . 10.0 110.155 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 27.5 mmt180 -66.81 -37.92 85.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.517 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 93.5 mt -57.28 -38.75 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 10.0 110.337 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' LYS . . . . . 0.494 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 20.2 mtmt -68.4 -36.94 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -61.75 -31.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.404 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 15.5 mm-40 -84.59 -28.7 26.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.17 0.509 . . . . 10.0 109.835 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -73.56 -34.18 65.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.425 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.74 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.578 -0.897 . . . . 10.0 108.578 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 121' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 125' ' ' LEU . 18.3 mm-40 -70.96 -22.67 62.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.876 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.411 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 23.8 tt0 -78.59 -51.58 9.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.62 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.79 92.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.72 -28.22 61.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 121' ' ' GLU . 2.4 mt -72.11 -36.93 69.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.334 -0.105 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.399 178.088 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.1 tttp . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.087 0.402 . . . . 10.0 112.087 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.08 -48.36 76.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 10.0 111.088 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -30.94 58.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.717 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -89.19 -27.76 20.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.04 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -46.75 -36.27 7.06 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.834 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -51.8 -14.33 0.35 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' B' ' 149' ' ' LEU . 9.1 mp -55.41 -44.14 75.93 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.064 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.74 -51.88 44.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.893 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.83 -45.73 59.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.525 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -73.24 -39.13 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 149' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' B' ' 145' ' ' LEU . 20.1 tp -59.23 96.3 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.552 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.158 179.778 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.878 0.371 . . . . 10.0 110.116 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 mmt -93.64 166.16 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.25 -60.16 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.05 -52.47 0.4 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.126 -1.035 . . . . 10.0 114.037 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.62 -2.78 31.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.631 0.715 . . . . 10.0 112.387 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.87 -22.1 3.63 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.342 -0.932 . . . . 10.0 113.834 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.4 tt0 -58.45 -34.4 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.948 0.374 . . . . 10.0 111.648 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.41 16.14 12.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -99.34 125.29 44.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.31 41.03 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.431 . . . . 10.0 110.252 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.04 160.45 52.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.27 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -87.65 53.95 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.193 0.521 . . . . 10.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.3 tt -102.2 116.46 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.006 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -119.61 5.75 11.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.095 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -111.7 149.58 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.4 p -101.49 169.59 8.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -61.14 -33.26 73.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.339 . . . . 10.0 111.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.06 24.48 2.81 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -3.14 9.02 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.543 0.977 . . . . 10.0 115.543 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.08 128.77 37.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 117.609 0.705 . . . . 10.0 111.626 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -75.92 130.78 39.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.8 t -81.7 125.78 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.239 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.8 142.98 40.1 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.437 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -60.4 137.19 58.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -63.13 -52.31 63.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.804 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.71 -9.8 55.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -90.8 136.68 32.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.875 0.369 . . . . 10.0 111.884 -178.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.36 82.7 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 m -91.54 155.58 43.83 Favored Pre-proline 0 C--N 1.317 -0.818 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.757 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -31.88 -45.13 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 124.362 3.375 . . . . 10.0 113.601 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 34.1 m170 -86.43 112.31 21.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.42 147.57 39.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.594 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -144.62 143.2 30.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.293 0.568 . . . . 10.0 110.192 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 1.33 81.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.282 -0.872 . . . . 10.0 113.128 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.98 62.68 3.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.194 0.521 . . . . 10.0 111.642 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 45' ' ' SER . 45.5 mm -73.53 126.41 89.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.706 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 50.4 Cg_exo -54.61 -22.43 28.42 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.653 2.902 . . . . 10.0 114.075 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.3 m -68.77 -16.31 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.838 0.352 . . . . 10.0 111.321 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -51.78 7.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.21 79.54 27.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.714 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.74 -8.35 19.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.354 2.036 . . . . 10.0 112.28 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -85.25 -1.39 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.343 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 69.1 mmtt -100.23 4.73 44.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.726 0.298 . . . . 10.0 110.688 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.92 53.82 5.45 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.578 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.88 97.43 7.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.04 151.95 48.54 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 48.04 -112.13 0.45 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.592 -1.186 . . . . 10.0 112.942 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -143.78 32.15 1.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.501 0.667 . . . . 10.0 110.052 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -83.28 157.18 22.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.49 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -87.8 125.22 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.396 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -140.89 177.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 47.3 t-20 -120.77 99.32 47.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -89.52 -14.7 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.477 2.118 . . . . 10.0 114.946 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 6.4 t70 -108.52 -13.06 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.595 0.634 . . . . 10.0 112.438 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 20.2 mtm105 73.13 28.0 1.93 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.433 0.635 . . . . 10.0 110.038 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.05 -163.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.818 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.39 -47.35 37.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 13.8 ptt180 -167.34 157.3 9.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 121.099 -0.24 . . . . 10.0 111.266 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HG3' ' HB2' ' A' ' 59' ' ' ASN . 71.6 Cg_exo -51.19 150.71 13.76 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.199 2.599 . . . . 10.0 113.335 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 16.2 p-90 -154.24 169.61 23.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.476 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.626 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.2 p -153.49 153.1 31.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.82 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.51 155.2 36.36 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 144.81 50.96 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.478 -0.489 . . . . 10.0 111.472 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.44 31.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.445 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.486 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -109.16 115.73 56.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.62 -9.51 2.8 Favored 'Trans proline' 0 N--CA 1.482 0.804 0 C-N-CA 123.649 2.9 . . . . 10.0 114.881 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -105.09 -26.32 12.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.636 0.255 . . . . 10.0 111.187 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -123.3 105.03 9.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.107 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 60.4 mtt180 -60.89 -42.84 98.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.338 . . . . 10.0 111.558 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -155.09 165.74 35.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.517 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.67 151.43 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 10.0 110.865 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.39 149.68 24.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.789 -0.642 . . . . 10.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -113.6 131.85 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.584 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.53 120.89 32.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.35 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' A' ' 66' ' ' PRO . 96.1 mt -122.39 132.73 24.22 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.185 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -45.89 129.39 12.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.951 2.434 . . . . 10.0 112.336 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -104.54 155.01 19.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.128 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.151 -179.642 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.637 0.256 . . . . 10.0 111.11 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.3 tt0 -65.07 -41.39 95.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 30.0 tp -61.93 -40.77 96.64 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.832 0.349 . . . . 10.0 110.296 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.392 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 19.9 mmt180 -64.94 -36.27 83.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.284 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 91.4 mt -59.82 -39.8 86.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.917 0.389 . . . . 10.0 110.092 178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -68.85 -40.85 79.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -61.73 -28.61 69.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.323 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.72 -37.17 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -70.83 -33.1 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.898 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.2 81.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.56 -23.24 63.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.285 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.444 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 11.2 tt0 -75.51 -52.81 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.94 85.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -74.12 -27.71 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 125' ' ' LEU . 11.9 mt -68.77 -34.53 75.71 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--O 1.235 0.338 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.468 177.475 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.1 tttp . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 139' ' ' GLU . . . . . 0.552 ' HA ' ' CB ' ' B' ' 144' ' ' ALA . 8.8 mt-10 -85.82 -15.63 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.351 -0.843 . . . . 10.0 111.606 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.16 -68.13 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 115.861 1.8 . . . . 10.0 115.861 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.14 -83.18 0.4 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 142' ' ' ARG . 0.1 OUTLIER -117.72 -17.87 9.77 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.522 1.055 . . . . 10.0 112.845 -178.306 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 143' ' ' LYS . 0.1 OUTLIER -52.71 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -171.383 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 144' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' B' ' 139' ' ' GLU . . . -46.3 -48.66 18.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.564 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.4 mp -54.51 -31.26 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -81.24 -45.02 16.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.023 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.29 -41.62 60.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.891 0.377 . . . . 10.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.54 -69.76 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.803 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.64 108.54 9.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.134 0.492 . . . . 10.0 111.212 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.635 179.372 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.7 m . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.183 0.516 . . . . 10.0 111.119 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 mmt -91.5 168.09 11.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.184 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -71.21 -48.17 53.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.7 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 160.31 -65.39 0.28 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.544 -1.312 . . . . 10.0 113.893 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -100.29 -1.97 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 -10.84 13.89 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.653 -0.784 . . . . 10.0 113.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -34.22 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -98.78 15.05 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 10.0 111.574 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -89.71 125.15 35.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -112.79 46.0 1.26 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.27 144.65 36.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.627 -0.797 . . . . 10.0 112.73 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.11 59.91 5.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.298 0.57 . . . . 10.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.419 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 m -111.64 1.0 16.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -121.36 156.56 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.765 0.317 . . . . 10.0 110.74 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 p -100.88 -175.83 3.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -70.53 -33.25 70.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.061 0.458 . . . . 10.0 110.749 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.93 24.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.282 0.845 . . . . 10.0 113.282 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.52 -3.34 8.69 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.168 -1.015 . . . . 10.0 115.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.88 126.09 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.291 0.545 . . . . 10.0 111.627 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.79 137.58 39.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.898 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 11.3 t -81.46 131.0 35.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.507 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.42 151.11 42.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.779 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -67.36 137.28 55.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 10.0 110.845 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.51 -52.54 57.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.28 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.8 -5.6 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 t -92.68 135.25 34.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.892 0.377 . . . . 10.0 111.203 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.68 93.01 4.82 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 m -92.36 155.62 42.31 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.318 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.8 -36.19 4.9 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.653 2.902 . . . . 10.0 112.235 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -85.75 112.68 21.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.71 143.59 54.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.676 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -144.99 139.26 27.36 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.145 0.498 . . . . 10.0 110.232 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.27 0.62 72.0 Favored Glycine 0 C--N 1.321 -0.301 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.585 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.01 62.58 3.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.106 0.479 . . . . 10.0 111.63 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mm -73.33 128.49 87.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.206 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.16 -27.84 48.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.5 2.8 . . . . 10.0 113.391 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -22.82 67.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.819 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -79.03 -52.01 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.736 0.303 . . . . 10.0 111.417 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.483 ' CE2' HD13 ' B' ' 112' ' ' LEU . 4.1 m-85 -122.05 79.39 42.63 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 10.0 110.381 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.55 -7.88 17.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.981 2.454 . . . . 10.0 112.107 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -79.21 -1.04 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.235 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -106.9 5.67 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 10.0 110.592 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.6 t30 55.53 55.79 6.92 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.815 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.03 93.12 6.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -128.37 151.76 48.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.887 0.375 . . . . 10.0 111.889 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 54.09 -111.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.287 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -150.05 36.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 10.0 110.245 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -80.62 154.66 27.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -76.2 120.32 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -125.74 176.36 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.326 0.584 . . . . 10.0 111.756 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -143.38 88.21 8.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.21 -7.69 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.383 2.055 . . . . 10.0 115.348 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' B' ' 112' ' ' LEU . 18.0 t70 -109.53 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.702 0.683 . . . . 10.0 112.048 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 75.58 31.31 0.75 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 10.0 110.344 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -70.81 -164.7 0.1 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.294 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.4 mp -53.62 -48.89 68.88 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.518 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -163.85 153.2 12.26 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.899 -0.321 . . . . 10.0 111.443 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.15 150.17 10.94 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.24 2.627 . . . . 10.0 113.049 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TRP . . . . . 0.478 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 35.0 p-90 -159.29 171.71 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.42 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.8 p -159.91 166.01 31.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.903 0.382 . . . . 10.0 111.383 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.67 155.56 25.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.35 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.54 143.66 49.58 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.56 -0.456 . . . . 10.0 111.778 -176.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 p -77.25 31.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.603 . . . . 10.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.8 120.93 33.51 Favored Pre-proline 0 C--N 1.321 -0.665 0 O-C-N 122.204 -0.31 . . . . 10.0 110.496 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.9 -12.99 7.88 Favored 'Trans proline' 0 N--CA 1.477 0.507 0 C-N-CA 123.317 2.678 . . . . 10.0 114.276 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -95.84 -26.38 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.114 -0.366 . . . . 10.0 111.278 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.2 105.44 9.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.035 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.64 -40.99 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 10.0 110.375 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 26.6 p-90 -157.12 168.82 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.107 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -154.73 155.51 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.508 0.505 . . . . 10.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -90.41 141.02 29.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 132.94 51.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 10.0 110.133 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.518 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 38.2 t70 -87.22 117.1 25.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.488 0.661 . . . . 10.0 111.654 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.73 133.62 24.55 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.575 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.61 134.48 27.09 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.438 2.758 . . . . 10.0 113.093 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -100.74 155.01 18.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.404 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.482 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.877 0.37 . . . . 10.0 110.534 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.56 95.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.389 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 22.7 tt0 -67.06 -42.27 85.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.283 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 47' ' ' PHE . 18.4 tp -61.13 -39.66 90.9 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.3 90.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.836 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' B' ' 114' ' ' ARG . 23.7 mmt180 -63.56 -38.62 91.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.958 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 96.3 mt -57.38 -37.74 73.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 10.0 110.009 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' LYS . . . . . 0.426 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 37.1 mtmt -70.99 -37.44 72.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.856 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.21 -32.87 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.35 0.595 . . . . 10.0 109.771 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -76.45 -37.99 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.815 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -65.25 -39.37 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.473 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -35.37 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -26.58 61.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -81.03 -48.3 12.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.009 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.425 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -59.14 -46.29 88.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.759 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.22 -26.47 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.823 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 125' ' ' LEU . 8.8 mt -75.25 -35.53 61.39 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.234 0.252 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.839 177.889 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.55 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 10.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -91.51 -16.15 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.796 0.808 . . . . 10.0 110.391 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 -5.57 52.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.505 -1.225 . . . . 10.0 113.521 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.454 ' HD3' HD22 ' B' ' 145' ' ' LEU . 0.0 OUTLIER -46.93 -61.85 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -173.496 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' B' ' 143' ' ' LYS . 7.1 tmtt? 72.38 -62.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.61 0.364 . . . . 10.0 111.334 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.6 70.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.137 0.494 . . . . 10.0 111.71 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' B' ' 142' ' ' ARG . 7.4 mp -68.14 -24.56 65.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.71 -12.7 57.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.758 0.79 . . . . 10.0 109.2 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -93.97 -44.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.99 -1.004 . . . . 10.0 108.662 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -54.37 -44.16 71.99 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.822 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.34 113.98 0.93 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.195 0.521 . . . . 10.0 111.703 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.228 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.236 0.342 0 CA-C-O 121.388 0.613 . . . . 10.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 14.7 mmt -97.14 166.63 11.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.262 -0.881 . . . . 10.0 112.241 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.161 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.03 -48.68 0.62 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.678 -1.248 . . . . 10.0 113.935 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 -5.63 24.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.611 0.706 . . . . 10.0 112.531 -177.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.69 -6.59 45.95 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.314 -0.946 . . . . 10.0 113.201 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.79 -32.6 70.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.776 0.322 . . . . 10.0 111.64 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.78 16.15 26.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -88.28 119.66 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.443 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.75 67.91 1.1 Allowed 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.23 161.89 29.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.537 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.43 34.49 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.4 0.619 . . . . 10.0 110.36 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 57' ' ' CYS . 4.8 tt -87.28 120.96 37.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.128 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 8.14 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.759 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -123.59 152.96 41.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.526 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -97.13 -178.78 4.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.407 ' H ' ' HG3' ' A' ' 24' ' ' MET . 3.6 ppp? -75.87 -25.41 56.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.66 -0.416 . . . . 10.0 110.038 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -90.68 25.23 2.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.33 -8.36 2.94 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.64 130.41 42.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.697 0.749 . . . . 10.0 111.664 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -77.25 128.17 33.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.4 t -68.27 139.98 55.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.683 0.754 . . . . 10.0 112.499 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -81.7 144.05 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.467 -1.242 . . . . 10.0 110.389 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.86 133.3 48.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.424 0.63 . . . . 10.0 112.051 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HB3' ' HG3' ' A' ' 44' ' ' PRO . 90.8 m95 -67.26 -52.22 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.343 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.25 -3.61 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.757 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 27.0 m -101.33 143.94 30.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.801 0.334 . . . . 10.0 111.655 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -81.38 139.04 35.54 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.771 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -147.19 154.24 45.85 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.433 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -41.52 -33.99 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.217 2.611 . . . . 10.0 112.248 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -86.98 98.8 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.43 149.84 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.892 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -147.53 135.36 21.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 10.0 110.742 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.81 -1.24 80.41 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -89.83 67.1 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.285 0.564 . . . . 10.0 110.62 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 45' ' ' SER . 35.1 mm -72.48 126.8 90.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.475 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 50.3 Cg_exo -57.5 -30.28 87.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.508 2.805 . . . . 10.0 113.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -67.33 -17.36 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.551 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HE2' ' OE1' ' B' ' 111' ' ' GLU . 12.2 mptt -84.35 -50.11 8.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -116.21 83.12 12.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 10.0 111.341 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.41 -8.09 14.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.168 1.912 . . . . 10.0 111.961 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.62 -7.83 59.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.503 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 65.0 mmtt -102.4 4.96 39.44 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.134 -0.226 . . . . 10.0 111.325 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.33 54.19 7.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.605 0.717 . . . . 10.0 111.144 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.2 mp -81.03 93.06 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.434 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.13 151.61 49.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.136 0.493 . . . . 10.0 112.314 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 50.74 -107.6 0.3 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.645 -1.161 . . . . 10.0 111.761 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 26.9 p-10 -152.37 36.42 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.486 0.66 . . . . 10.0 109.515 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -79.31 150.64 31.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.99 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 20' ' ' ILE . 34.7 t -82.74 120.39 25.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.713 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -139.31 176.41 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -113.16 89.91 15.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.58 -26.29 2.16 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.243 1.962 . . . . 10.0 114.566 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.71 ' HA ' HD21 ' B' ' 112' ' ' LEU . 2.6 t0 -92.49 -6.89 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.034 -0.416 . . . . 10.0 111.205 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 66.08 30.75 9.33 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.613 0.72 . . . . 10.0 109.588 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.0 -157.9 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.952 -1.022 . . . . 10.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.94 -47.59 32.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.377 0.88 . . . . 10.0 113.377 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 79' ' ' TYR . 22.3 ptt180 -170.58 163.73 5.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 121.183 -0.207 . . . . 10.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 74.8 Cg_exo -52.58 149.53 24.02 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.919 2.413 . . . . 10.0 113.613 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -159.58 171.0 20.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.95 -1.023 . . . . 10.0 109.259 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.7 p -161.39 164.94 29.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.86 0.362 . . . . 10.0 110.999 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -78.06 156.74 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.921 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.4 142.46 50.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.942 0.401 . . . . 10.0 111.405 -177.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.6 28.72 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.543 . . . . 10.0 111.364 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -112.07 125.79 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.788 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 37.5 Cg_exo -60.31 -11.09 14.98 Favored 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.052 2.501 . . . . 10.0 114.329 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.57 -52.12 5.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 10.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.99 126.12 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.62 0.247 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 47.5 mtt180 -70.96 -36.85 72.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 10.0 110.384 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -155.65 160.3 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.036 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.13 155.96 43.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.05 0.452 . . . . 10.0 111.495 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 5.6 m-85 -88.48 158.92 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.088 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.32 133.31 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.96 119.37 28.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 10.0 110.651 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.81 138.2 30.93 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.975 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -50.4 127.2 19.61 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.075 2.516 . . . . 10.0 112.331 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -99.37 151.79 20.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.89 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' MET . 5.3 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.744 0.307 . . . . 10.0 111.816 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.66 88.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 44.5 tt0 -67.71 -40.82 84.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' A' ' 61' ' ' ASP . 27.8 tp -58.84 -42.36 89.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.902 0.382 . . . . 10.0 110.905 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.91 -42.56 89.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 17.3 mmt180 -67.93 -36.63 80.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.786 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 84.9 mt -58.97 -42.59 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.895 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.23 -39.68 93.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.567 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.34 -30.87 69.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.591 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.66 -35.05 19.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 122' ' ' GLU . 32.9 ttp85 -72.73 -33.56 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.695 0.283 . . . . 10.0 110.744 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -43.08 85.91 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.27 -20.33 64.77 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 121.194 0.521 . . . . 10.0 109.884 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' B' ' 119' ' ' ARG . 40.3 tt0 -77.19 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.892 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.32 86.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.81 -27.59 65.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.728 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.66 -33.42 53.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.4 mm-40 . . . . . 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.248 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.1 tttp . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -87.54 -31.19 20.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.912 0.387 . . . . 10.0 109.958 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.81 70.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.399 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -44.77 -9.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.296 1.591 . . . . 10.0 115.296 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 142' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' B' ' 144' ' ' ALA . 0.0 OUTLIER -49.05 -17.32 0.2 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.309 0.504 . . . . 10.0 111.892 179.485 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' B' ' 143' ' ' LYS . 3.2 ttpt -83.9 36.34 0.55 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 144' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' ' 142' ' ' ARG . . . -78.55 -43.14 27.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.06 . . . . 10.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 145' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.0 mp -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.255 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.47 -54.32 11.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.08 -46.2 68.5 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.726 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -69.53 -59.16 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.404 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 68.3 mt -84.41 50.9 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.935 0.397 . . . . 10.0 110.902 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.107 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.285 0.564 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.0 mmt -95.95 168.93 10.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.605 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -64.76 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.403 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.4 -63.55 0.19 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.694 -1.241 . . . . 10.0 114.496 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -101.05 -1.98 32.78 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.517 0.659 . . . . 10.0 112.595 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.63 0.9 75.3 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.389 -0.91 . . . . 10.0 113.799 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.04 -26.86 64.95 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.797 0.332 . . . . 10.0 111.876 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -118.1 20.72 13.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -82.68 118.48 23.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.447 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.86 77.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.67 160.21 14.1 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.254 -0.974 . . . . 10.0 113.025 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -84.43 53.33 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 10.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 tt -99.29 114.92 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.279 -0.873 . . . . 10.0 109.796 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.11 0.87 15.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.586 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -120.69 158.51 27.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.447 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -99.0 172.1 7.62 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -64.01 -27.09 68.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.969 0.414 . . . . 10.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 24.99 2.09 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 -8.98 2.89 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 116.4 1.32 . . . . 10.0 116.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 mt -74.08 132.51 42.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.971 0.886 . . . . 10.0 112.036 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -75.2 132.32 41.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.284 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 35.9 t -70.76 142.1 51.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.535 0.683 . . . . 10.0 112.67 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -84.01 142.29 30.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.731 -1.122 . . . . 10.0 108.893 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.51 138.93 49.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 10.0 112.382 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -60.2 -51.37 69.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.02 -6.51 54.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.272 0.842 . . . . 10.0 113.272 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.8 m -87.41 135.35 33.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.512 -0.475 . . . . 10.0 112.003 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -91.65 84.25 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 10.0 109.138 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.59 154.8 42.45 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.622 -1.172 . . . . 10.0 109.627 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -38.62 -31.42 0.23 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.489 2.793 . . . . 10.0 112.801 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.93 96.94 9.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 148.9 51.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.45 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -152.03 150.59 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.044 0.45 . . . . 10.0 111.252 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.91 0.82 62.84 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.468 -0.787 . . . . 10.0 113.367 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -84.99 62.03 7.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 10.0 111.748 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 45' ' ' SER . 23.0 mm -73.96 126.69 89.16 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.65 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.36 -21.44 53.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.135 2.557 . . . . 10.0 113.289 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.462 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -70.59 -11.84 61.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.266 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.69 -55.0 3.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.926 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -120.09 82.45 29.67 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 120.735 0.302 . . . . 10.0 111.358 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -3.47 13.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.347 2.031 . . . . 10.0 111.932 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -76.67 -12.64 60.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.845 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -102.07 7.83 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.879 -0.329 . . . . 10.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t30 54.51 63.54 2.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.955 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.83 63.57 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.22 150.66 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 49.72 -113.31 0.62 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.372 -1.285 . . . . 10.0 112.469 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -146.5 33.43 0.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.792 0.806 . . . . 10.0 109.599 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -79.68 152.36 29.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.44 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -81.0 121.72 26.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -134.98 177.21 7.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.057 0.456 . . . . 10.0 110.628 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 62' ' ' ARG . 27.3 t-20 -121.13 95.63 48.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -86.99 -28.2 0.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.675 2.25 . . . . 10.0 115.842 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.807 ' HA ' HD21 ' B' ' 112' ' ' LEU . 1.6 m-20 -96.69 -1.11 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.614 0.643 . . . . 10.0 112.556 -177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 16.2 mtm180 66.54 32.81 7.04 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.419 0.628 . . . . 10.0 109.889 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.66 -160.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.031 -0.986 . . . . 10.0 112.111 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -51.52 -47.94 63.16 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -166.8 159.34 11.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.844 -0.343 . . . . 10.0 111.788 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.32 149.86 27.92 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.752 2.302 . . . . 10.0 112.663 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -157.18 173.25 17.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.732 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -162.65 162.21 26.89 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.396 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -76.31 155.26 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.518 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.07 142.59 50.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.996 0.427 . . . . 10.0 111.786 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -81.01 38.16 0.46 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.564 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -116.38 134.75 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.158 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 15.1 Cg_exo -69.04 -9.11 25.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.897 2.398 . . . . 10.0 113.561 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.55 -41.85 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.82 0.304 . . . . 10.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 129.59 53.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 10.0 110.95 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -75.36 -35.12 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.703 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -154.14 165.8 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -148.53 155.87 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.7 148.88 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.48 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.04 139.45 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.75 121.78 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 10.0 111.389 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.04 137.72 24.77 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.96 128.86 11.84 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.137 2.558 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -100.12 153.76 18.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.826 0.346 . . . . 10.0 110.673 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 9' ' ' MET . 6.2 t . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.52 86.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.889 0.376 . . . . 10.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 2.7 tp10 -64.87 -48.34 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.596 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.807 HD21 ' HA ' ' A' ' 61' ' ' ASP . 18.4 tp -61.73 -41.78 98.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.037 0.446 . . . . 10.0 110.34 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -61.6 -44.85 96.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -70.95 -36.27 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.275 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 68.4 mt -59.34 -40.19 85.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 10.0 109.543 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -66.52 -39.33 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.38 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.414 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.24 -41.16 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 mtm105 -67.72 -32.53 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.919 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -60.45 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -65.12 -23.61 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.622 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.3 OUTLIER -83.8 -42.21 16.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.359 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.29 95.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.951 0.405 . . . . 10.0 110.516 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.21 -25.37 64.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.344 0.593 . . . . 10.0 109.565 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -34.02 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.647 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 5.4 mm-40 . . . . . 0 C--N 1.332 -0.187 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tttp . . . . . 0 C--O 1.231 0.131 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.34 -26.55 63.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.689 0.28 . . . . 10.0 111.23 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.04 84.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -16.6 3.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -64.5 -12.45 44.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.412 0.625 . . . . 10.0 110.292 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -73.99 87.38 1.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.895 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.53 -17.89 43.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.756 -0.656 . . . . 10.0 112.19 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.24 -53.16 60.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.718 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.61 -30.14 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.473 0.654 . . . . 10.0 110.53 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -61.09 2.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.991 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -63.82 -48.0 78.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.214 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.07 77.03 2.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.021 0.439 . . . . 10.0 110.806 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.363 179.687 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.974 0.416 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 23.1 mmt -93.74 168.23 11.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.566 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -61.1 -56.44 20.84 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.873 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.23 -50.79 0.49 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 119.837 -1.173 . . . . 10.0 113.92 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -9.44 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.646 0.723 . . . . 10.0 112.882 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.53 36.1 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.442 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 4.2 tm-20 -58.78 -32.9 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 10.0 111.588 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -100.32 18.43 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.723 0.297 . . . . 10.0 111.588 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -97.41 128.38 44.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.726 0.298 . . . . 10.0 111.083 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -126.23 71.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.12 165.17 20.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.666 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -94.54 44.06 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.071 0.462 . . . . 10.0 110.669 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -94.53 118.87 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.09 8.06 12.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.218 0.532 . . . . 10.0 110.733 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -115.11 148.24 39.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.064 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 p -100.26 -174.08 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.77 62.04 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.52 -0.472 . . . . 10.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 m -91.94 24.91 3.0 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.02 -7.22 3.29 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.918 -1.134 . . . . 10.0 115.599 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HG3' ' A' ' 78' ' ' GLU . 27.5 mt -68.36 129.05 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.631 0.716 . . . . 10.0 111.351 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -80.39 132.21 35.73 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 38.9 t -70.13 134.05 47.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.448 -0.796 . . . . 10.0 112.626 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.096 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.2 129.77 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 10.0 110.381 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.81 -51.86 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.95 -7.88 44.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -104.1 134.76 46.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 10.0 111.521 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -87.07 101.2 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.023 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -91.48 159.16 39.53 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.359 -0.837 . . . . 10.0 109.138 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -36.23 -31.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.42 2.746 . . . . 10.0 112.904 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 4.8 m-70 -90.55 113.66 25.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.91 145.44 51.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.677 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -141.42 138.41 32.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.306 0.574 . . . . 10.0 110.407 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.2 -1.16 76.02 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 115.28 -0.873 . . . . 10.0 113.616 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.43 67.05 6.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.59 . . . . 10.0 111.169 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 45' ' ' SER . 38.1 mm -72.59 125.27 91.35 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.756 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.2 -27.65 81.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.116 2.544 . . . . 10.0 113.302 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -69.88 -14.11 62.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.512 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -86.28 -48.04 8.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.388 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.6 74.13 62.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.42 -5.97 15.24 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.558 2.172 . . . . 10.0 112.189 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -79.84 -0.98 36.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.718 . . . . 10.0 111.661 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -106.24 6.47 30.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t30 62.73 48.09 4.37 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.478 0.656 . . . . 10.0 111.416 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tp -81.23 83.78 6.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.413 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -122.87 158.61 29.96 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.031 0.443 . . . . 10.0 111.986 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt 53.63 -117.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.288 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -150.28 36.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.673 0.749 . . . . 10.0 109.828 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -86.0 157.71 20.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.735 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.2 t -85.41 120.87 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.012 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -135.56 172.71 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.995 0.426 . . . . 10.0 110.929 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 51.5 t-20 -125.15 86.49 56.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.252 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.67 -7.13 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.856 2.371 . . . . 10.0 114.215 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 1.002 ' HA ' HD21 ' B' ' 112' ' ' LEU . 6.5 t70 -105.83 -11.17 16.33 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 47.3 mtm105 72.98 21.94 3.11 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.997 0.519 . . . . 10.0 111.515 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.6 p-10 -69.88 -173.7 0.66 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.979 0.418 . . . . 10.0 111.368 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mp -48.49 -47.66 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.784 1.031 . . . . 10.0 113.784 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -157.08 148.3 16.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.479 -0.488 . . . . 10.0 112.209 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.65 149.17 19.4 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.243 2.629 . . . . 10.0 112.723 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -157.6 172.44 18.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.743 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 12.5 p -161.15 163.33 31.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.634 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.7 154.8 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.455 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.65 140.73 52.52 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.002 0.429 . . . . 10.0 110.608 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.98 39.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.654 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.65 123.93 29.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 35.3 Cg_exo -59.4 -15.12 28.15 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.098 2.532 . . . . 10.0 114.251 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -101.97 -26.42 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.841 0.353 . . . . 10.0 111.503 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -122.92 107.75 12.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.339 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 122' ' ' GLU . 50.0 mtm180 -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -152.51 158.55 42.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.7 mm-40 -146.46 152.12 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.645 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.69 154.25 26.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.013 0.435 . . . . 10.0 110.672 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.68 126.4 50.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.79 120.69 29.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.103 0.478 . . . . 10.0 110.92 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.82 134.67 25.86 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.373 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -44.34 126.93 7.02 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.468 2.779 . . . . 10.0 113.38 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -93.34 149.27 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.624 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 9' ' ' MET . 15.5 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.137 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 120.889 0.376 . . . . 10.0 111.308 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.47 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -67.63 -39.42 84.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.311 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 1.002 HD21 ' HA ' ' A' ' 61' ' ' ASP . 17.6 tp -66.81 -42.05 86.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -64.14 -43.81 94.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.23 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 36.6 mmt-85 -63.71 -37.74 88.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.447 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.33 -36.6 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 10.0 110.13 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -38.94 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.826 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.37 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.259 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 3.9 mm-40 -78.96 -39.92 33.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.921 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' B' ' 119' ' ' ARG . 1.1 mtm105 -73.4 -33.38 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.188 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.23 -19.32 63.94 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.623 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -81.91 -49.49 10.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.764 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' B' ' 122' ' ' GLU . . . -62.22 -41.16 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.1 -20.55 60.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.36 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.35 -28.68 42.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 4.9 mm-40 . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.653 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? . . . . . 0 N--CA 1.463 0.214 0 N-CA-C 106.518 -1.66 . . . . 10.0 106.518 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -83.7 -10.98 57.79 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 118.117 2.636 . . . . 10.0 118.117 -174.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -98.45 -92.54 0.25 Allowed 'General case' 0 C--N 1.351 0.637 1 C-N-CA 109.48 -4.888 . . . . 10.0 111.661 -175.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -106.98 -81.65 0.55 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 118.158 -1.417 . . . . 10.0 112.336 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -109.3 -57.22 2.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 122.632 1.206 . . . . 10.0 109.782 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.91 153.05 21.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 112.733 -2.03 . . . . 10.0 108.843 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -99.81 1.97 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.198 0.523 . . . . 10.0 110.566 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.28 -21.97 65.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.816 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -107.56 -26.51 10.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.726 0.298 . . . . 10.0 111.277 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.2 -63.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.894 0.378 . . . . 10.0 111.508 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.65 -61.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.75 -175.99 3.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.011 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.463 0.649 . . . . 10.0 111.408 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.86 168.59 10.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.931 -1.031 . . . . 10.0 110.506 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -61.4 -50.32 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.601 0.239 . . . . 10.0 110.729 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.22 -52.23 0.47 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.51 -1.328 . . . . 10.0 114.517 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 p -101.53 -4.83 26.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.723 0.762 . . . . 10.0 112.905 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.94 -6.72 47.15 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.914 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.34 -29.72 64.22 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.092 0.404 . . . . 10.0 112.092 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.96 20.73 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.457 . . . . 10.0 111.185 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -83.4 119.96 25.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -120.78 69.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.78 170.07 23.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.427 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -101.11 38.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.549 . . . . 10.0 110.718 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 tt -90.37 120.68 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.803 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -121.82 13.11 10.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.404 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -129.1 150.95 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.172 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -94.46 -170.6 2.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.671 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.06 -24.57 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.605 -0.438 . . . . 10.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -94.67 25.39 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.51 -0.76 16.8 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.173 -1.013 . . . . 10.0 115.351 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' THR . 52.9 mt -66.15 126.12 27.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.437 0.619 . . . . 10.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.91 129.52 34.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.295 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 44.5 t -73.86 134.75 43.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.588 0.709 . . . . 10.0 112.804 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.95 142.39 40.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.513 -1.221 . . . . 10.0 109.882 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.19 129.91 41.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 10.0 110.593 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.03 -51.84 67.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.492 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.3 6.25 10.43 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 13.8 t -100.65 133.15 45.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 10.0 111.111 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -81.26 92.29 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.701 0.762 . . . . 10.0 109.759 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 155.65 41.43 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.86 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -43.73 -27.88 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 123.465 2.776 . . . . 10.0 112.328 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -90.85 107.17 19.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.72 146.65 54.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.772 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -145.74 142.6 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.5 0.667 . . . . 10.0 110.829 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.92 4.67 71.9 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.114 -0.948 . . . . 10.0 113.92 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.1 63.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.345 0.573 . . . . 10.0 111.855 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 45' ' ' SER . 30.3 mm -73.54 129.59 85.27 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.274 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.08 -24.37 32.59 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.489 2.792 . . . . 10.0 113.997 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.44 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.0 m -68.77 -9.47 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.586 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -89.91 -53.2 4.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.231 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -121.16 84.83 40.67 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-O 120.795 0.331 . . . . 10.0 111.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.46 -8.33 14.93 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.385 2.057 . . . . 10.0 112.221 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -76.06 -12.66 60.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.779 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.03 -2.81 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.701 0.286 . . . . 10.0 110.847 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t30 63.31 58.96 1.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.86 89.63 5.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.685 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.0 153.92 46.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.087 0.47 . . . . 10.0 112.083 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 56.7 -118.43 1.17 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.069 -0.969 . . . . 10.0 112.615 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -148.24 35.96 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.693 0.758 . . . . 10.0 109.686 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -82.49 154.45 25.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.967 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.05 120.3 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.845 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -136.23 167.13 21.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 10.0 111.134 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -112.2 97.31 38.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -92.32 -15.25 1.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.635 2.223 . . . . 10.0 115.284 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' HG ' ' B' ' 112' ' ' LEU . 14.7 t70 -103.41 -10.97 18.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.718 0.69 . . . . 10.0 112.59 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 60.5 mtm180 74.25 21.98 2.34 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.599 0.714 . . . . 10.0 109.207 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.79 -161.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.345 -1.298 . . . . 10.0 111.993 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.78 -48.33 41.17 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 11.6 ptp180 -168.63 163.3 8.19 Favored Pre-proline 0 C--N 1.323 -0.545 0 C-N-CA 120.714 -0.394 . . . . 10.0 111.376 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.93 147.38 33.14 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.571 2.181 . . . . 10.0 112.543 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -154.33 167.02 31.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.234 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 5.9 p -157.44 163.39 38.56 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.864 0.364 . . . . 10.0 110.851 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -78.39 155.61 29.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.436 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.416 HG21 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -130.01 149.09 51.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.138 0.494 . . . . 10.0 111.785 -176.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -79.5 27.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.133 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.45 119.7 47.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.98 -16.08 8.46 Favored 'Trans proline' 0 N--CA 1.481 0.746 0 C-N-CA 123.784 2.989 . . . . 10.0 115.087 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -104.18 -22.45 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.134 -0.354 . . . . 10.0 111.277 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -122.44 96.36 5.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 49.8 mtt180 -65.17 -37.27 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.229 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -156.41 163.25 39.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.342 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -154.79 161.69 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.403 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.492 ' HB3' ' HD2' ' A' ' 65' ' ' ARG . 76.5 m-85 -90.65 139.89 30.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.104 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.5 136.76 45.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.772 0.32 . . . . 10.0 110.236 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.3 t70 -88.35 113.86 24.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 10.0 111.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mt -124.99 133.03 24.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.465 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.22 129.72 6.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.567 2.844 . . . . 10.0 114.304 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -102.64 154.25 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.204 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 10.0 111.054 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.53 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 10.0 111.107 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -41.71 79.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.523 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.585 ' HG ' ' OD2' ' A' ' 61' ' ' ASP . 10.3 tp -67.49 -35.06 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.728 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.02 -41.68 81.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 21.4 mmt180 -67.69 -36.4 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.243 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.74 -33.21 74.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.479 0.657 . . . . 10.0 109.612 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 36.2 tttt -66.5 -39.08 88.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.903 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -69.66 -23.71 63.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.075 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 23.2 mm-40 -78.38 -45.84 21.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.078 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -70.69 -34.53 72.07 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.395 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' B' ' 116' ' ' LYS . 0.0 OUTLIER -61.31 -49.3 77.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.998 179.343 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.23 -19.92 62.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 10.0 110.199 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -77.13 -52.53 9.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.579 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.65 88.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.194 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 120' ' ' HIS . 3.3 mt-10 -72.4 -23.48 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.692 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 125' ' ' LEU . 12.1 mt -76.69 -38.41 54.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.426 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.518 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 121.188 0.518 . . . . 10.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.52 -42.76 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.268 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 140' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' B' ' 143' ' ' LYS . . . -82.22 -48.67 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.564 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -48.96 61.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -49.92 -12.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.606 1.335 . . . . 10.0 114.606 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 143' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' B' ' 140' ' ' ALA . 1.7 pttp -47.9 -19.35 0.23 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.51 54.29 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.678 0.275 . . . . 10.0 110.726 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.36 -38.71 69.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.841 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -40.29 93.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.306 0.574 . . . . 10.0 109.937 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.26 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.878 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -77.85 -11.06 59.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.589 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 27.3 mt -76.61 -10.74 59.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.394 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.717 0.294 . . . . 10.0 110.854 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.561 0.696 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.07 168.98 10.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.287 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -69.02 -50.36 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.54 -58.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 119.533 -1.318 . . . . 10.0 114.592 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -101.11 -2.04 32.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.466 0.633 . . . . 10.0 112.271 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.5 23.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.596 -0.812 . . . . 10.0 113.803 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.2 tt0 -61.42 -39.96 92.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 10.0 111.446 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -92.64 17.78 9.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.996 0.426 . . . . 10.0 111.113 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -99.86 131.87 45.57 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -128.25 78.27 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.77 14.57 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.673 -0.775 . . . . 10.0 112.745 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -86.34 47.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.187 0.518 . . . . 10.0 111.035 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tt -96.48 113.06 29.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 2.31 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.186 0.517 . . . . 10.0 110.737 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -113.29 149.28 34.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.713 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 34.4 p -98.03 176.28 5.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.92 -30.31 70.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.889 0.376 . . . . 10.0 110.513 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -89.82 24.73 2.28 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.8 -4.09 8.19 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.968 1.147 . . . . 10.0 115.968 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.64 128.92 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.757 0.778 . . . . 10.0 111.772 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.1 136.35 44.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.376 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.7 t -71.17 140.01 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.736 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -76.19 147.97 38.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.729 -1.123 . . . . 10.0 109.974 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.0 132.67 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 10.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -70.29 -53.43 16.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -71.24 -14.61 62.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.0 m -97.32 130.27 44.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.969 0.414 . . . . 10.0 111.62 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -79.79 110.29 15.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.381 0.61 . . . . 10.0 109.677 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 155.92 42.96 Favored Pre-proline 0 C--N 1.313 -0.997 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.819 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -32.63 -43.78 0.19 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 124.305 3.337 . . . . 10.0 113.414 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -80.65 104.3 11.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 144.09 57.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.204 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.18 142.52 30.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 110.275 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.22 1.82 65.07 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-N 115.485 -0.779 . . . . 10.0 113.323 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.85 64.02 3.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.127 0.489 . . . . 10.0 112.03 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mm -74.03 129.6 84.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.338 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.61 -28.96 68.05 Favored 'Trans proline' 0 N--CA 1.482 0.813 0 C-N-CA 123.669 2.912 . . . . 10.0 113.848 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -10.66 39.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.059 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -87.73 -54.38 4.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.794 -0.184 . . . . 10.0 111.274 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' HD13 ' B' ' 112' ' ' LEU . 49.8 m-85 -122.0 84.3 44.87 Favored Pre-proline 0 C--O 1.234 0.283 0 CA-C-O 120.8 0.333 . . . . 10.0 111.039 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.67 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.596 2.198 . . . . 10.0 112.276 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.98 -10.77 59.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.373 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -103.02 2.57 35.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.702 0.287 . . . . 10.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.61 62.1 2.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.793 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.29 91.61 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.89 149.44 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 55.01 -110.16 0.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.873 -1.058 . . . . 10.0 112.609 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -151.27 36.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.595 0.712 . . . . 10.0 109.6 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -79.84 151.55 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.5 t -84.68 127.76 34.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.492 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.62 173.86 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.888 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t30 -119.85 94.94 48.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 121.056 0.455 . . . . 10.0 110.219 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.38 -8.2 1.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.598 2.199 . . . . 10.0 114.103 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.25 -6.74 27.51 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.948 -0.47 . . . . 10.0 112.211 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 68.89 22.83 6.99 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 10.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.428 ' N ' HD22 ' A' ' 59' ' ' ASN . 4.3 p30 -75.07 -158.13 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.337 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.36 -47.94 80.32 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB2' ' HD2' ' A' ' 66' ' ' PRO . 33.2 ptt180 -170.94 159.4 5.47 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 112.094 0.405 . . . . 10.0 112.094 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 93.7 Cg_exo -45.28 142.79 5.86 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.903 3.069 . . . . 10.0 114.728 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -157.84 168.91 25.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.426 -1.261 . . . . 10.0 108.162 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.0 p -163.19 163.31 25.62 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.643 -0.423 . . . . 10.0 111.552 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -76.82 156.18 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.206 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.14 146.08 50.52 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.676 -0.409 . . . . 10.0 111.042 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -79.34 36.89 0.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 10.0 112.068 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 127.85 26.43 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.65 -13.99 33.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.012 2.475 . . . . 10.0 114.217 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -99.84 -26.6 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.165 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -123.25 106.37 10.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.694 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 10.0 110.547 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.49 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 60.0 p-90 -153.17 163.83 39.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.077 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.65 166.56 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 10.0 111.695 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.38 146.31 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.092 -0.958 . . . . 10.0 111.536 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 3.4 m -117.1 129.51 56.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.738 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.47 117.7 26.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 10.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -121.56 130.08 24.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.211 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -47.63 135.68 21.55 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.273 2.649 . . . . 10.0 113.347 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -98.28 154.55 17.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.142 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.002 -179.839 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.779 0.323 . . . . 10.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.74 81.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 10.0 110.502 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -52.67 63.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.173 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 47' ' ' PHE . 11.5 tp -62.87 -38.82 92.4 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.369 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.94 -37.15 83.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' B' ' 119' ' ' ARG . 51.3 mt -59.62 -39.14 83.3 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -61.82 -40.91 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.204 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -65.88 -29.3 69.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.555 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.25 -41.26 57.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 115' ' ' LEU . 3.1 mtm105 -66.53 -28.98 68.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.92 -49.76 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.543 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -67.81 -20.37 65.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 36.5 tt0 -77.75 -50.56 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ALA . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -60.16 -46.23 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.829 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.48 -27.56 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.237 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 125' ' ' LEU . 12.1 mt -75.44 -37.82 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 6.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.323 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.7 -41.02 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.354 -0.216 . . . . 10.0 111.288 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.0 -45.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.758 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -15.71 61.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.662 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -89.14 -39.79 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -43.23 -48.17 6.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 114.991 -1.004 . . . . 10.0 112.268 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.5 60.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.38 -34.59 70.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 10.0 110.745 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.38 -27.82 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.915 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.61 -45.08 17.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.03 -66.15 0.57 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 10.0 111.035 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.88 70.94 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.221 0.534 . . . . 10.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.316 179.774 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.813 0.34 . . . . 10.0 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -93.99 -164.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.059 -0.348 . . . . 10.0 110.059 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -65.05 -40.99 95.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.899 0.381 . . . . 10.0 110.396 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -121.3 93.39 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -161.97 119.53 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 110.973 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -116.76 60.78 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.166 0.508 . . . . 10.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -70.71 150.75 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.778 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.6 m -109.18 127.36 54.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.28 0.562 . . . . 10.0 111.534 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.558 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.4 mmt -99.93 169.14 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -69.78 -53.55 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.215 -0.194 . . . . 10.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.19 -57.92 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 119.115 -1.517 . . . . 10.0 115.038 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -2.79 28.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.816 0.808 . . . . 10.0 112.946 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.98 2.26 29.91 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.618 -0.801 . . . . 10.0 112.915 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 2.5 tm-20 -66.18 -29.67 70.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.934 0.494 . . . . 10.0 112.285 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -111.69 21.08 16.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 10.0 110.806 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -100.57 136.88 39.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.774 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -128.72 76.8 1.74 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.232 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.23 166.21 26.89 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.752 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -94.48 53.37 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 10.0 110.499 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -101.76 119.34 49.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.826 -1.079 . . . . 10.0 109.789 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 p -121.17 14.38 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 10.0 111.41 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -129.01 157.82 40.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.629 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.1 p -100.03 170.46 8.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.62 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 ptp -67.01 -24.8 66.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.017 0.437 . . . . 10.0 110.403 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 m -91.86 25.59 2.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -4.85 6.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.166 1.226 . . . . 10.0 116.166 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.47 131.66 38.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.834 0.817 . . . . 10.0 111.725 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.93 135.45 41.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.447 -0.797 . . . . 10.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 29.7 t -78.92 138.51 38.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.317 0.58 . . . . 10.0 111.634 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 23.0 tt0 -74.36 149.83 40.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.869 -1.059 . . . . 10.0 110.246 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -74.74 138.15 42.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.4 -53.63 52.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -83.07 4.44 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.94 0.718 . . . . 10.0 112.94 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 74.4 m -98.01 126.27 43.36 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.178 -0.209 . . . . 10.0 110.557 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 48.2 tp60 -81.84 92.23 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 10.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.36 158.37 38.96 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.749 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -38.83 -33.99 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.184 2.589 . . . . 10.0 112.136 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 42.3 m170 -82.87 100.46 10.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.25 143.05 57.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.766 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -135.99 134.85 39.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.024 0.44 . . . . 10.0 109.915 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.27 -1.33 75.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.759 -0.734 . . . . 10.0 113.275 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.78 75.01 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.488 -0.419 . . . . 10.0 111.089 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 45' ' ' SER . 26.2 mm -73.48 125.73 90.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.211 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 32.5 Cg_exo -59.38 -25.34 78.15 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.256 2.637 . . . . 10.0 113.265 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.459 ' HB3' ' O ' ' B' ' 102' ' ' SER . 1.0 OUTLIER -65.51 -20.27 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 10.0 110.713 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HE2' ' HA2' ' B' ' 101' ' ' GLY . 86.1 mttt -103.06 0.24 31.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.949 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -146.89 57.28 3.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.121 -0.945 . . . . 10.0 110.771 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.33 -15.17 16.06 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.096 1.864 . . . . 10.0 112.23 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -96.57 11.53 34.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.122 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -107.68 3.42 24.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 57.67 46.38 17.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.357 0.599 . . . . 10.0 111.26 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.81 87.99 5.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.81 150.42 49.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.122 0.487 . . . . 10.0 112.176 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 52.62 -114.38 0.84 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.834 -1.075 . . . . 10.0 112.696 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -148.4 34.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.641 0.734 . . . . 10.0 109.937 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.43 148.47 30.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -81.41 121.7 26.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.308 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -137.14 179.56 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.847 0.356 . . . . 10.0 110.875 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 40.1 t-20 -117.35 87.77 25.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -81.91 -23.04 4.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.752 2.302 . . . . 10.0 114.711 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.582 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . 3.0 t0 -104.44 2.95 31.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.384 0.538 . . . . 10.0 111.915 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 88.9 mtm180 68.78 30.85 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.674 0.75 . . . . 10.0 110.05 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.582 ' OD1' ' HB3' ' A' ' 61' ' ' ASP . 5.7 m-20 -64.9 174.08 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.339 -1.3 . . . . 10.0 111.52 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.73 -44.31 48.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.652 -1.158 . . . . 10.0 110.406 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -150.79 156.28 35.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.063 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HG2' HD12 ' A' ' 82' ' ' ILE . 48.1 Cg_exo -56.04 153.43 32.26 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.838 2.359 . . . . 10.0 112.627 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -151.62 163.35 39.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 6.0 p -151.58 156.62 40.85 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.192 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -77.54 155.0 31.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.67 140.38 52.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.816 -0.353 . . . . 10.0 111.56 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 32.76 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 10.0 111.056 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -116.0 118.79 37.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.725 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.67 -19.17 1.91 Allowed 'Trans proline' 0 N--CA 1.479 0.667 0 C-N-CA 124.213 3.275 . . . . 10.0 115.507 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.55 -23.66 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.0 -0.437 . . . . 10.0 112.17 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -123.92 101.99 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.308 0.114 . . . . 10.0 111.308 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -59.69 -45.58 91.67 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.752 0.311 . . . . 10.0 111.034 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -159.22 163.68 35.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.099 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -150.8 161.54 42.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.075 0.464 . . . . 10.0 111.382 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -85.52 158.74 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.434 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.1 t -120.84 125.6 47.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.273 -0.171 . . . . 10.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -88.92 115.34 26.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.231 0.539 . . . . 10.0 110.924 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.409 HD12 ' HG2' ' A' ' 66' ' ' PRO . 32.7 mt -122.34 136.21 26.26 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.55 133.54 12.99 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.296 2.664 . . . . 10.0 112.569 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -106.05 155.26 19.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.826 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' MET . 49.6 t -78.97 128.54 33.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.524 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.58 12.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.261 0.553 . . . . 10.0 110.411 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.746 -0.645 . . . . 10.0 110.338 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.473 ' HA2' ' HE2' ' A' ' 46' ' ' LYS . . . . . . . . 0 N--CA 1.478 1.475 0 N-CA-C 112.365 -0.294 . . . . 10.0 112.365 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 45' ' ' SER . 67.6 m -115.99 -44.16 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 12.8 m -120.57 -8.18 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.939 0.4 . . . . 10.0 111.614 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.12 142.37 47.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.632 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -108.93 31.5 5.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.342 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.14 138.67 47.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.439 HG22 ' HB3' ' B' ' 110' ' ' ALA . 1.7 m 60.66 33.72 20.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.456 0.646 . . . . 10.0 111.077 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.64 -45.89 73.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.143 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' B' ' 107' ' ' THR . . . -66.47 -42.04 88.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.876 0.37 . . . . 10.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 26.0 tt0 -65.94 -38.72 89.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.831 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -64.92 -43.5 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.006 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.3 -42.98 96.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.203 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 14.2 mmt180 -66.56 -36.88 83.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.436 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 85.7 mt -63.41 -33.24 75.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.284 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -63.19 -41.57 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.3 -29.95 69.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.809 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -71.57 -42.37 67.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.46 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -65.68 -37.36 86.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.029 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -46.31 85.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.439 -0.801 . . . . 10.0 110.068 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.68 -24.99 62.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.12 -51.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 10.0 111.418 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.58 84.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 10.0 111.164 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -77.55 -22.19 51.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.416 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.06 -33.83 61.75 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.001 -1.111 . . . . 10.0 108.001 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.49 -31.54 67.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.341 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 2.6 ttt180 -61.28 -50.58 72.42 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.272 -0.877 . . . . 10.0 110.278 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.68 -50.04 71.34 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.952 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -61.41 -42.06 98.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.837 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 73.0 mt-10 -62.72 -22.77 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.998 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.64 81.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.69 41.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.73 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.83 111.74 10.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' B' ' 139' ' ' GLU . 45.6 m-70 -77.55 -29.19 52.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.586 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -55.64 -47.7 76.18 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.295 0.569 . . . . 10.0 109.944 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.462 ' HG3' ' CB ' ' B' ' 143' ' ' LYS . 24.3 tttm -60.54 -54.2 48.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.917 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 138' ' ' LYS . . . . . 0.573 ' HG3' ' CD ' ' B' ' 131' ' ' GLU . 10.9 tttp -47.83 -65.09 0.62 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 135' ' ' HIS . 11.1 pt-20 -98.73 -17.49 18.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 117.528 2.418 . . . . 10.0 117.528 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.49 -72.85 0.5 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 120.501 3.519 . . . . 10.0 120.501 -170.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.29 -81.8 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 120.551 3.537 . . . . 10.0 120.551 -173.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -56.89 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 119.22 3.044 . . . . 10.0 119.22 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.462 ' CB ' ' HG3' ' B' ' 137' ' ' LYS . 8.2 mmtt -34.86 -48.71 0.41 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.462 2.023 . . . . 10.0 116.462 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.12 -59.55 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.962 0.801 . . . . 10.0 110.92 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.06 -43.89 51.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.272 -0.876 . . . . 10.0 112.113 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.78 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -50.18 -52.35 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.728 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -63.12 -62.82 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.313 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp 58.47 -114.84 0.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.532 0.52 . . . . 10.0 110.197 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -153.88 133.03 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.643 0.258 . . . . 10.0 110.81 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -53.67 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.438 0.637 . . . . 10.0 109.635 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.857 179.342 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.556 0.217 . . . . 10.0 111.243 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.71 47.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.887 0.375 . . . . 10.0 111.317 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.2 145.91 33.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.043 0.449 . . . . 10.0 110.69 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.91 118.79 37.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.299 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -103.6 91.4 4.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.519 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.49 101.65 7.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.194 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.24 177.11 6.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.5 m -108.0 127.91 54.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.151 0.5 . . . . 10.0 111.012 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 mmt -94.2 169.34 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.53 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.57 -53.33 49.45 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.583 -0.281 . . . . 10.0 110.832 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 155.56 -52.18 0.44 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.406 -1.378 . . . . 10.0 114.376 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -3.75 29.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.65 -14.42 18.35 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.013 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.51 -32.91 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.921 0.391 . . . . 10.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -102.87 18.33 21.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.956 0.408 . . . . 10.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -90.6 123.72 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.375 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -126.27 76.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.44 161.9 13.51 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.67 -0.776 . . . . 10.0 113.313 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -86.68 48.75 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 10.0 111.771 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 tt -97.1 116.36 39.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.119 0.485 . . . . 10.0 110.012 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -107.54 8.16 29.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -129.25 161.04 31.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.498 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.411 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -101.51 -167.25 1.39 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -74.17 -27.82 61.01 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.28 26.61 3.69 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.151 0.797 . . . . 10.0 113.151 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.64 -5.3 5.92 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 116.47 1.348 . . . . 10.0 116.47 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.39 136.12 54.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 118.449 1.124 . . . . 10.0 112.183 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.62 128.8 36.03 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.698 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.1 t -75.42 136.42 40.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.659 0.742 . . . . 10.0 112.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.31 138.26 40.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.73 -1.123 . . . . 10.0 110.002 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.28 135.78 55.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.25 . . . . 10.0 110.337 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.69 -52.33 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.321 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.36 3.22 16.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 11.7 t -98.93 135.07 40.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.92 0.391 . . . . 10.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.9 tp60 -91.41 90.13 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.462 0.648 . . . . 10.0 110.036 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.84 157.97 35.03 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.069 -0.968 . . . . 10.0 109.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -35.48 -35.31 0.13 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.589 2.859 . . . . 10.0 113.126 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' A' ' 76' ' ' ARG . 4.8 m-70 -83.98 102.73 12.67 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.85 152.47 45.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.98 145.73 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.497 0.665 . . . . 10.0 111.633 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.21 -4.06 58.63 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 115.145 -0.934 . . . . 10.0 113.01 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -87.54 63.32 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.287 0.565 . . . . 10.0 110.826 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 45' ' ' SER . 30.8 mm -72.57 125.92 91.06 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.256 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 52.9 Cg_exo -57.44 -23.86 57.89 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.387 2.724 . . . . 10.0 113.384 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m -68.34 -12.68 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.7 -52.55 5.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.52 81.56 31.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.484 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.41 -4.02 13.39 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.411 2.074 . . . . 10.0 112.07 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -84.16 5.87 24.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.197 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -111.19 5.97 20.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.639 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.15 51.52 10.21 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.216 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.9 mp -80.59 73.65 7.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.233 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.84 155.87 24.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.621 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 54.53 -113.58 0.8 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.21 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -151.94 34.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 10.0 110.379 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -79.39 157.68 27.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.473 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.9 t -87.37 128.49 35.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.871 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.02 169.84 22.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -110.06 99.37 39.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 10.0 109.992 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.91 -15.55 1.3 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.55 2.167 . . . . 10.0 114.187 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' B' ' 112' ' ' LEU . 14.2 t70 -95.76 -12.65 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.163 -0.335 . . . . 10.0 111.814 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 15.0 mtm180 73.36 24.79 2.29 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.896 0.855 . . . . 10.0 108.952 -177.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -78.03 -165.61 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.495 -1.229 . . . . 10.0 111.963 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.39 -47.57 72.56 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 34.3 ptt180 -161.8 152.78 15.11 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.501 -0.479 . . . . 10.0 112.099 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.05 146.6 16.91 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.142 2.561 . . . . 10.0 112.732 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 42.0 p-90 -154.12 171.72 18.69 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.543 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -158.53 160.87 37.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.73 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.18 155.92 31.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.566 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.16 140.73 52.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.017 0.437 . . . . 10.0 111.407 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.16 37.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.938 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.4 118.19 37.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.54 -11.46 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.513 2.809 . . . . 10.0 115.022 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -101.16 -26.72 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.997 -0.439 . . . . 10.0 111.199 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -122.77 108.89 13.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.428 ' HA ' ' CD2' ' A' ' 38' ' ' HIS . 57.8 mtt180 -67.0 -40.44 87.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.733 -179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -153.65 161.62 41.99 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 10.0 110.072 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -150.85 155.12 38.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.998 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 85.9 m-85 -95.89 147.5 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.285 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 2.7 t -113.44 145.11 41.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.37 126.24 35.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.779 0.323 . . . . 10.0 111.395 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.58 129.78 24.91 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.86 131.98 21.33 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.216 2.61 . . . . 10.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.41 150.93 20.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 10.0 110.894 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.436 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 14.1 t -90.93 134.2 34.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.389 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.06 52.08 2.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.903 0.382 . . . . 10.0 110.764 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.11 -179.78 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.424 ' HA3' ' HG2' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.9 -0.48 . . . . 10.0 111.9 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.6 m -92.14 -58.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.612 0.244 . . . . 10.0 111.372 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.88 43.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.091 0.472 . . . . 10.0 111.564 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.424 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 11.6 pt-20 -120.26 159.79 24.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.315 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -131.95 27.57 4.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.285 0.564 . . . . 10.0 110.13 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -74.2 153.05 39.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.168 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.837 HG22 ' HB3' ' B' ' 110' ' ' ALA . 0.2 OUTLIER 65.47 37.49 6.1 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.004 0.43 . . . . 10.0 110.044 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.51 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.837 ' HB3' HG22 ' B' ' 107' ' ' THR . . . -65.37 -38.7 90.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 10.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.1 tt0 -67.99 -37.32 81.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.535 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 61' ' ' ASP . 28.0 tp -65.0 -42.73 94.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.64 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.77 -41.89 92.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.041 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -70.21 -33.6 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.522 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 74.0 mt -58.46 -38.39 77.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -66.84 -39.03 87.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.111 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.03 -32.01 71.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.111 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -80.51 -43.32 20.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.514 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -69.38 -36.0 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.792 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.07 81.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.605 -0.438 . . . . 10.0 109.881 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 18.1 mm-40 -66.73 -24.01 66.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.162 0.506 . . . . 10.0 109.932 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.32 -47.21 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.718 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.51 91.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.662 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.39 -30.78 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 121' ' ' GLU . 16.4 mt -67.06 -38.3 85.55 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -55.23 -33.88 63.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.872 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -66.93 -42.46 85.31 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -37.94 77.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.953 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -63.0 -41.62 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.284 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.1 -35.7 79.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.457 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.72 73.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.079 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.39 58.7 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.441 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -120.57 99.98 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -61.92 -25.88 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.949 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.09 -44.44 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -63.46 -46.35 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.084 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -54.82 -29.78 55.61 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.83 -19.47 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.098 -0.376 . . . . 10.0 111.852 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.24 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 10.0 110.787 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.12 -15.79 16.2 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -62.59 -12.59 23.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.076 0.465 . . . . 10.0 111.214 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.74 -18.16 63.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.05 64.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.81 -39.22 76.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.32 -25.82 58.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.97 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.75 -32.02 46.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.79 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -78.87 -46.59 18.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.98 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.6 146.15 40.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 10.0 110.461 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -136.28 169.46 17.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.817 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 123.29 22.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.467 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.476 -0.773 . . . . 10.0 110.25 -179.442 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.697 0.284 . . . . 10.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.61 76.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.246 0.546 . . . . 10.0 110.34 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.83 -27.19 13.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.429 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -85.76 91.3 8.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.069 0.461 . . . . 10.0 110.465 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.96 120.45 40.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.706 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -143.96 34.52 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.799 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.7 155.53 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 10.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.4 m -107.48 127.85 53.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.269 0.557 . . . . 10.0 110.345 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.445 ' HG3' HG22 ' A' ' 82' ' ' ILE . 12.2 mmt -98.11 168.5 10.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.313 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -56.41 -46.4 80.2 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.518 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.42 -44.55 0.83 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.182 -1.009 . . . . 10.0 113.008 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -3.08 32.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.98 0.39 . . . . 10.0 111.744 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.71 -20.18 3.71 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.835 -0.697 . . . . 10.0 114.198 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -58.48 -43.42 88.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.017 0.408 . . . . 10.0 111.637 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -86.95 16.65 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 10.0 111.568 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -101.58 133.06 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.12 82.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.32 158.72 15.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.284 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -93.67 47.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 10.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 tt -102.33 120.1 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.645 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.24 22.75 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.242 0.544 . . . . 10.0 110.778 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -124.56 152.25 43.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.07 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -100.4 -175.65 2.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.617 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.45 -31.27 68.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.888 0.375 . . . . 10.0 111.484 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -93.94 26.99 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.97 -2.19 8.97 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.002 -1.094 . . . . 10.0 115.786 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.42 130.85 43.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.583 0.692 . . . . 10.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.5 128.73 35.96 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.336 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.98 138.35 47.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 10.0 112.713 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 3.0 tt0 -82.08 142.16 32.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.231 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -68.33 136.69 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.622 0.248 . . . . 10.0 111.41 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -60.36 -52.67 64.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.124 -0.489 . . . . 10.0 112.266 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -78.49 2.77 17.92 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t -98.35 126.57 43.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.121 0.486 . . . . 10.0 111.002 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.79 94.97 7.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.199 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 p -95.81 156.89 36.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.786 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -36.09 -42.44 0.6 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.874 3.049 . . . . 10.0 112.541 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -78.99 116.73 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.02 147.08 50.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.637 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -144.6 134.25 23.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.199 0.523 . . . . 10.0 110.066 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.53 82.01 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.556 -0.747 . . . . 10.0 113.762 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.25 68.34 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.322 0.561 . . . . 10.0 111.34 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 45' ' ' SER . 41.5 mm -71.97 124.85 91.46 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.514 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 55.6 Cg_endo -68.5 -13.34 37.18 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 123.237 2.625 . . . . 10.0 113.269 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 43' ' ' ILE . 4.4 m -75.6 -11.62 60.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.639 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 69.3 mmtt -90.84 -47.2 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.216 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.49 82.61 15.66 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.538 0.209 . . . . 10.0 111.35 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 3.1 Cg_exo -80.22 -6.63 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.812 2.342 . . . . 10.0 112.453 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -84.89 6.51 24.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.466 . . . . 10.0 112.101 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.54 8.69 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.711 0.291 . . . . 10.0 111.117 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.2 t30 53.78 53.55 11.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.847 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.1 mp -80.87 78.36 7.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.871 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -123.13 160.89 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.928 0.394 . . . . 10.0 111.982 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.27 -119.53 1.34 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.004 -0.998 . . . . 10.0 112.33 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -148.88 34.09 0.76 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.69 . . . . 10.0 109.994 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.85 155.07 24.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 39.6 t -80.86 120.23 24.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.741 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -135.43 -179.66 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 10.0 110.767 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.413 HD21 ' CG ' ' A' ' 63' ' ' ASP . 11.2 t-20 -142.07 85.82 10.71 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.999 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -84.64 0.07 9.16 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.117 1.878 . . . . 10.0 114.818 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' OD1' ' HD3' ' B' ' 116' ' ' LYS . 10.0 t70 -107.64 -11.16 15.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.0 0.818 . . . . 10.0 112.284 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 82.1 mtm180 72.06 26.02 2.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.984 0.513 . . . . 10.0 111.718 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.5 p30 -71.24 -162.54 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.795 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.7 mp -52.19 -49.23 64.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 33.1 ptt180 -169.01 155.01 6.33 Favored Pre-proline 0 N--CA 1.465 0.298 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HA ' HD22 ' A' ' 59' ' ' ASN . 89.2 Cg_exo -47.13 144.89 8.3 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.676 2.917 . . . . 10.0 114.101 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.458 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 61.7 p-90 -161.81 170.1 20.15 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.218 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.9 p -162.61 168.58 21.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.821 0.344 . . . . 10.0 110.586 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -76.96 155.02 33.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.95 144.65 50.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.97 0.414 . . . . 10.0 111.569 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -78.31 27.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.807 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.64 119.36 52.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.66 -17.81 30.44 Favored 'Trans proline' 0 N--CA 1.476 0.483 0 C-N-CA 123.171 2.58 . . . . 10.0 113.483 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -97.98 -21.54 16.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.465 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -124.67 103.94 8.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 39.6 mtt180 -57.13 -43.34 82.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.953 0.406 . . . . 10.0 111.137 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -156.03 163.17 40.02 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.223 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -148.44 154.62 40.13 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.523 0.514 . . . . 10.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.46 158.32 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.493 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.7 t -125.34 130.14 51.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.48 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -88.63 116.3 26.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.847 0.356 . . . . 10.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' A' ' 9' ' ' MET . 37.9 mt -117.96 135.25 23.34 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -50.24 132.35 33.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.179 2.586 . . . . 10.0 113.251 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -102.91 153.46 20.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -127.75 123.52 35.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.052 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.03 93.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.34 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.666 -0.683 . . . . 10.0 110.108 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 112.194 -0.362 . . . . 10.0 112.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -59.82 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 10.0 110.967 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 -27.05 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.606 0.717 . . . . 10.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' B' ' 104' ' ' GLU . 0.7 OUTLIER -98.22 -174.08 2.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.216 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -108.08 29.19 7.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.287 0.565 . . . . 10.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.75 148.35 49.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.723 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.706 HG22 ' HB3' ' B' ' 110' ' ' ALA . 1.8 m 66.67 34.94 5.49 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.385 0.612 . . . . 10.0 109.415 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.51 3.52 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.968 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.26 -46.25 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.706 ' HB3' HG22 ' B' ' 107' ' ' THR . . . -66.84 -36.98 83.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.691 0.282 . . . . 10.0 110.777 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 3.3 tp10 -60.48 -48.16 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.49 -39.1 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -61.5 -42.48 98.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.015 0.436 . . . . 10.0 110.155 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 27.5 mmt180 -66.81 -37.92 85.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.517 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 93.5 mt -57.28 -38.75 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 10.0 110.337 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' LYS . . . . . 0.494 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 20.2 mtmt -68.4 -36.94 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -61.75 -31.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.404 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 15.5 mm-40 -84.59 -28.7 26.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.17 0.509 . . . . 10.0 109.835 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -73.56 -34.18 65.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.425 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.74 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.578 -0.897 . . . . 10.0 108.578 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 121' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 125' ' ' LEU . 18.3 mm-40 -70.96 -22.67 62.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.876 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.411 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 23.8 tt0 -78.59 -51.58 9.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.62 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.79 92.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.72 -28.22 61.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 121' ' ' GLU . 2.4 mt -72.11 -36.93 69.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.37 -33.57 63.56 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.399 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.32 -46.59 89.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.17 -37.57 87.74 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.817 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -59.81 -40.14 87.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.204 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.7 m -65.23 -45.4 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.84 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.06 -22.35 66.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.583 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.32 96.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.128 0.49 . . . . 10.0 110.034 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.3 -57.68 11.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.911 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.94 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.858 0.361 . . . . 10.0 110.931 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.33 -31.43 71.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.608 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.75 -28.24 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 10.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -84.99 -30.84 23.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.224 0.535 . . . . 10.0 110.233 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.97 -15.93 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.201 -0.909 . . . . 10.0 112.087 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.08 -48.36 76.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 10.0 111.088 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -30.94 58.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.717 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -89.19 -27.76 20.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.04 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -46.75 -36.27 7.06 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.834 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -51.8 -14.33 0.35 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' B' ' 149' ' ' LEU . 9.1 mp -55.41 -44.14 75.93 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.064 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.74 -51.88 44.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.893 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.83 -45.73 59.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.525 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -73.24 -39.13 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 149' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' B' ' 145' ' ' LEU . 20.1 tp -59.23 96.3 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.552 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -163.88 99.67 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.158 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -75.32 153.01 38.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 10.0 110.664 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.526 -0.75 . . . . 10.0 110.404 -178.957 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.15 106.83 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.189 0.519 . . . . 10.0 110.047 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.8 17.45 10.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.835 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -99.21 83.8 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.568 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.01 72.17 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.366 0.603 . . . . 10.0 111.061 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -110.54 110.68 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.216 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -101.33 168.8 9.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.599 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 m -116.8 126.61 53.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.371 . . . . 10.0 110.116 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 mmt -93.64 166.16 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.25 -60.16 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.05 -52.47 0.4 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.126 -1.035 . . . . 10.0 114.037 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.62 -2.78 31.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.631 0.715 . . . . 10.0 112.387 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.87 -22.1 3.63 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.342 -0.932 . . . . 10.0 113.834 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.4 tt0 -58.45 -34.4 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.948 0.374 . . . . 10.0 111.648 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.41 16.14 12.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -99.34 125.29 44.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.31 41.03 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.431 . . . . 10.0 110.252 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.04 160.45 52.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.27 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -87.65 53.95 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.193 0.521 . . . . 10.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.3 tt -102.2 116.46 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.006 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -119.61 5.75 11.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.095 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -111.7 149.58 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.4 p -101.49 169.59 8.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -61.14 -33.26 73.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.339 . . . . 10.0 111.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.06 24.48 2.81 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -3.14 9.02 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.543 0.977 . . . . 10.0 115.543 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.08 128.77 37.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 117.609 0.705 . . . . 10.0 111.626 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -75.92 130.78 39.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.8 t -81.7 125.78 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.239 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.8 142.98 40.1 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.437 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -60.4 137.19 58.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -63.13 -52.31 63.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.804 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.71 -9.8 55.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -90.8 136.68 32.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.875 0.369 . . . . 10.0 111.884 -178.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.36 82.7 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 m -91.54 155.58 43.83 Favored Pre-proline 0 C--N 1.317 -0.818 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.757 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -31.88 -45.13 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 124.362 3.375 . . . . 10.0 113.601 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 34.1 m170 -86.43 112.31 21.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.42 147.57 39.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.594 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -144.62 143.2 30.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.293 0.568 . . . . 10.0 110.192 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 1.33 81.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.282 -0.872 . . . . 10.0 113.128 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.98 62.68 3.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.194 0.521 . . . . 10.0 111.642 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 45' ' ' SER . 45.5 mm -73.53 126.41 89.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.706 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 50.4 Cg_exo -54.61 -22.43 28.42 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.653 2.902 . . . . 10.0 114.075 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.3 m -68.77 -16.31 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.838 0.352 . . . . 10.0 111.321 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -51.78 7.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.21 79.54 27.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.714 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.74 -8.35 19.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.354 2.036 . . . . 10.0 112.28 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -85.25 -1.39 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.343 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 69.1 mmtt -100.23 4.73 44.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.726 0.298 . . . . 10.0 110.688 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.92 53.82 5.45 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.578 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.88 97.43 7.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.04 151.95 48.54 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 48.04 -112.13 0.45 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.592 -1.186 . . . . 10.0 112.942 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -143.78 32.15 1.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.501 0.667 . . . . 10.0 110.052 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -83.28 157.18 22.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.49 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -87.8 125.22 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.396 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -140.89 177.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 47.3 t-20 -120.77 99.32 47.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -89.52 -14.7 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.477 2.118 . . . . 10.0 114.946 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 6.4 t70 -108.52 -13.06 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.595 0.634 . . . . 10.0 112.438 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 20.2 mtm105 73.13 28.0 1.93 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.433 0.635 . . . . 10.0 110.038 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.05 -163.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.818 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.39 -47.35 37.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 13.8 ptt180 -167.34 157.3 9.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 121.099 -0.24 . . . . 10.0 111.266 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HG3' ' HB2' ' A' ' 59' ' ' ASN . 71.6 Cg_exo -51.19 150.71 13.76 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.199 2.599 . . . . 10.0 113.335 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 16.2 p-90 -154.24 169.61 23.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.476 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.626 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.2 p -153.49 153.1 31.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.82 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.51 155.2 36.36 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 144.81 50.96 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.478 -0.489 . . . . 10.0 111.472 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.44 31.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.445 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.486 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -109.16 115.73 56.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.62 -9.51 2.8 Favored 'Trans proline' 0 N--CA 1.482 0.804 0 C-N-CA 123.649 2.9 . . . . 10.0 114.881 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -105.09 -26.32 12.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.636 0.255 . . . . 10.0 111.187 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -123.3 105.03 9.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.107 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 60.4 mtt180 -60.89 -42.84 98.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.338 . . . . 10.0 111.558 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -155.09 165.74 35.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.517 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.67 151.43 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 10.0 110.865 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.39 149.68 24.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.789 -0.642 . . . . 10.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -113.6 131.85 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.584 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.53 120.89 32.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.35 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' A' ' 66' ' ' PRO . 96.1 mt -122.39 132.73 24.22 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.185 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -45.89 129.39 12.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.951 2.434 . . . . 10.0 112.336 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -104.54 155.01 19.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.128 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m -79.16 135.27 36.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.151 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.47 -24.51 50.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.456 -0.783 . . . . 10.0 110.204 -179.78 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.761 -0.536 . . . . 10.0 111.761 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -97.76 7.34 46.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.819 0.343 . . . . 10.0 110.99 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 t -80.95 -42.32 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.481 0.658 . . . . 10.0 109.795 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.0 176.63 5.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.084 -0.962 . . . . 10.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -125.6 87.7 2.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.221 0.534 . . . . 10.0 109.933 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.09 111.57 1.75 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.236 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 46.78 65.09 1.3 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.08 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.51 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.501 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -54.16 -48.98 70.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.637 0.256 . . . . 10.0 111.11 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.3 tt0 -65.07 -41.39 95.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 30.0 tp -61.93 -40.77 96.64 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.832 0.349 . . . . 10.0 110.296 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.392 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 19.9 mmt180 -64.94 -36.27 83.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.284 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 91.4 mt -59.82 -39.8 86.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.917 0.389 . . . . 10.0 110.092 178.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -68.85 -40.85 79.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -61.73 -28.61 69.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.323 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.72 -37.17 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -70.83 -33.1 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.898 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.2 81.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.56 -23.24 63.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.285 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.444 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 11.2 tt0 -75.51 -52.81 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.94 85.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -74.12 -27.71 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 125' ' ' LEU . 11.9 mt -68.77 -34.53 75.71 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.45 -28.6 45.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.468 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -65.72 -46.09 80.27 Favored 'General case' 0 CA--C 1.523 -0.072 0 N-CA-C 108.617 -0.882 . . . . 10.0 108.617 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.04 -42.6 94.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.473 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -56.2 -40.75 74.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.191 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 18.9 m -63.75 -42.81 97.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.66 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.07 -37.41 87.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.76 85.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.122 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.97 36.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.444 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -112.08 95.81 5.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.958 0.409 . . . . 10.0 110.085 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' B' ' 139' ' ' GLU . 0.2 OUTLIER -61.02 -31.67 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.854 -178.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.02 -44.28 74.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.996 0.427 . . . . 10.0 110.126 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -67.01 -44.13 81.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.657 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -63.69 -25.54 68.25 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 139' ' ' GLU . . . . . 0.552 ' HA ' ' CB ' ' B' ' 144' ' ' ALA . 8.8 mt-10 -85.82 -15.63 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.351 -0.843 . . . . 10.0 111.606 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.16 -68.13 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 115.861 1.8 . . . . 10.0 115.861 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.14 -83.18 0.4 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 142' ' ' ARG . 0.1 OUTLIER -117.72 -17.87 9.77 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.522 1.055 . . . . 10.0 112.845 -178.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 143' ' ' LYS . 0.1 OUTLIER -52.71 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -171.383 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 144' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' B' ' 139' ' ' GLU . . . -46.3 -48.66 18.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.564 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.4 mp -54.51 -31.26 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -81.24 -45.02 16.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.023 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.29 -41.62 60.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.891 0.377 . . . . 10.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.54 -69.76 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.803 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.64 108.54 9.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.134 0.492 . . . . 10.0 111.212 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -143.64 66.85 1.29 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.635 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.58 126.62 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.267 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.606 -0.712 . . . . 10.0 110.313 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.73 0.3 . . . . 10.0 110.23 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.95 153.19 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.2 -33.37 74.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.769 0.319 . . . . 10.0 111.187 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.25 108.38 17.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 69.35 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.253 0.549 . . . . 10.0 110.441 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -93.95 144.4 25.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.95 170.48 15.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.7 m -130.39 132.46 45.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.183 0.516 . . . . 10.0 111.119 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 mmt -91.5 168.09 11.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.184 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -71.21 -48.17 53.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.7 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 160.31 -65.39 0.28 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.544 -1.312 . . . . 10.0 113.893 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -100.29 -1.97 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 -10.84 13.89 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.653 -0.784 . . . . 10.0 113.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -34.22 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -98.78 15.05 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 10.0 111.574 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -89.71 125.15 35.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -112.79 46.0 1.26 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.27 144.65 36.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.627 -0.797 . . . . 10.0 112.73 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.11 59.91 5.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.298 0.57 . . . . 10.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.419 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 m -111.64 1.0 16.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -121.36 156.56 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.765 0.317 . . . . 10.0 110.74 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 p -100.88 -175.83 3.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -70.53 -33.25 70.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.061 0.458 . . . . 10.0 110.749 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.93 24.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.282 0.845 . . . . 10.0 113.282 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.52 -3.34 8.69 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.168 -1.015 . . . . 10.0 115.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.88 126.09 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.291 0.545 . . . . 10.0 111.627 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.79 137.58 39.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.898 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 11.3 t -81.46 131.0 35.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.507 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.42 151.11 42.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.779 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -67.36 137.28 55.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 10.0 110.845 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.51 -52.54 57.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.28 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.8 -5.6 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 t -92.68 135.25 34.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.892 0.377 . . . . 10.0 111.203 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.68 93.01 4.82 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 m -92.36 155.62 42.31 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.318 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.8 -36.19 4.9 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.653 2.902 . . . . 10.0 112.235 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -85.75 112.68 21.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.71 143.59 54.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.676 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -144.99 139.26 27.36 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.145 0.498 . . . . 10.0 110.232 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.27 0.62 72.0 Favored Glycine 0 C--N 1.321 -0.301 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.585 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.01 62.58 3.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.106 0.479 . . . . 10.0 111.63 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mm -73.33 128.49 87.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.206 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.16 -27.84 48.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.5 2.8 . . . . 10.0 113.391 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -22.82 67.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.819 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -79.03 -52.01 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.736 0.303 . . . . 10.0 111.417 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.483 ' CE2' HD13 ' B' ' 112' ' ' LEU . 4.1 m-85 -122.05 79.39 42.63 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 10.0 110.381 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.55 -7.88 17.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.981 2.454 . . . . 10.0 112.107 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -79.21 -1.04 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.235 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -106.9 5.67 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 10.0 110.592 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.6 t30 55.53 55.79 6.92 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.815 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.03 93.12 6.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -128.37 151.76 48.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.887 0.375 . . . . 10.0 111.889 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 54.09 -111.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.287 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -150.05 36.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 10.0 110.245 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -80.62 154.66 27.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -76.2 120.32 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -125.74 176.36 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.326 0.584 . . . . 10.0 111.756 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -143.38 88.21 8.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.21 -7.69 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.383 2.055 . . . . 10.0 115.348 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' B' ' 112' ' ' LEU . 18.0 t70 -109.53 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.702 0.683 . . . . 10.0 112.048 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 75.58 31.31 0.75 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 10.0 110.344 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -70.81 -164.7 0.1 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.294 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.4 mp -53.62 -48.89 68.88 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.518 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -163.85 153.2 12.26 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.899 -0.321 . . . . 10.0 111.443 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.15 150.17 10.94 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.24 2.627 . . . . 10.0 113.049 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TRP . . . . . 0.478 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 35.0 p-90 -159.29 171.71 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.42 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.8 p -159.91 166.01 31.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.903 0.382 . . . . 10.0 111.383 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.67 155.56 25.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.35 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.54 143.66 49.58 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.56 -0.456 . . . . 10.0 111.778 -176.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 p -77.25 31.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.603 . . . . 10.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.8 120.93 33.51 Favored Pre-proline 0 C--N 1.321 -0.665 0 O-C-N 122.204 -0.31 . . . . 10.0 110.496 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.9 -12.99 7.88 Favored 'Trans proline' 0 N--CA 1.477 0.507 0 C-N-CA 123.317 2.678 . . . . 10.0 114.276 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -95.84 -26.38 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.114 -0.366 . . . . 10.0 111.278 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.2 105.44 9.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.035 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.64 -40.99 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 10.0 110.375 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 26.6 p-90 -157.12 168.82 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.107 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -154.73 155.51 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.508 0.505 . . . . 10.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -90.41 141.02 29.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 132.94 51.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 10.0 110.133 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.518 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 38.2 t70 -87.22 117.1 25.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.488 0.661 . . . . 10.0 111.654 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.73 133.62 24.55 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.575 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.61 134.48 27.09 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.438 2.758 . . . . 10.0 113.093 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -100.74 155.01 18.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.404 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -77.44 -175.16 3.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.482 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.43 -60.46 2.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.343 -0.837 . . . . 10.0 110.531 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.744 -0.542 . . . . 10.0 111.744 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.974 0.416 . . . . 10.0 110.465 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 18.8 t -99.42 -40.37 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.024 0.44 . . . . 10.0 110.006 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 159.98 33.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.676 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -121.93 34.98 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.083 0.468 . . . . 10.0 110.52 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.6 mt -76.1 152.98 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.48 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m 70.9 0.15 3.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.521 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.75 -48.35 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 10.0 110.439 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.64 -39.54 80.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.534 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.56 95.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.389 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 22.7 tt0 -67.06 -42.27 85.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.283 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 47' ' ' PHE . 18.4 tp -61.13 -39.66 90.9 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.3 90.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.836 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' B' ' 114' ' ' ARG . 23.7 mmt180 -63.56 -38.62 91.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.958 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 96.3 mt -57.38 -37.74 73.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 10.0 110.009 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' LYS . . . . . 0.426 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 37.1 mtmt -70.99 -37.44 72.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.856 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.21 -32.87 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.35 0.595 . . . . 10.0 109.771 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -76.45 -37.99 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.815 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -65.25 -39.37 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.473 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -35.37 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -26.58 61.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -81.03 -48.3 12.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.009 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.425 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -59.14 -46.29 88.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.759 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.22 -26.47 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.823 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 125' ' ' LEU . 8.8 mt -75.25 -35.53 61.39 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.53 -30.24 66.94 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.839 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 8.8 ttt180 -63.54 -50.12 70.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' B' ' 143' ' ' LYS . 11.1 mp -61.58 -37.57 84.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.306 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -46.13 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.77 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 45.6 m -65.87 -44.2 86.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.814 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 81.8 mt-10 -59.71 -18.16 40.31 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.144 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' B' ' 138' ' ' LYS . . . -62.88 -33.55 75.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.07 0.462 . . . . 10.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.29 9.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.96 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.5 97.53 11.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.13 0.491 . . . . 10.0 111.045 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -65.64 -26.7 67.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.383 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.54 -32.35 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.934 0.397 . . . . 10.0 111.12 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' B' ' 141' ' ' GLU . 8.9 ttmm -88.91 -29.45 19.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.341 0.591 . . . . 10.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 138' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' B' ' 132' ' ' ALA . 31.2 tttp -75.33 8.83 2.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.556 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.55 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 10.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -91.51 -16.15 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.796 0.808 . . . . 10.0 110.391 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 141' ' ' GLU . . . . . 0.622 ' HB2' ' O ' ' B' ' 137' ' ' LYS . 0.1 OUTLIER -91.99 -5.57 52.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.505 -1.225 . . . . 10.0 113.521 -176.329 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.454 ' HD3' HD22 ' B' ' 145' ' ' LEU . 0.0 OUTLIER -46.93 -61.85 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -173.496 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.521 ' HB3' HD21 ' B' ' 128' ' ' LEU . 7.1 tmtt? 72.38 -62.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.61 0.364 . . . . 10.0 111.334 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.6 70.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.137 0.494 . . . . 10.0 111.71 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' B' ' 142' ' ' ARG . 7.4 mp -68.14 -24.56 65.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.71 -12.7 57.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.758 0.79 . . . . 10.0 109.2 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -93.97 -44.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.99 -1.004 . . . . 10.0 108.662 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -54.37 -44.16 71.99 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.822 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.34 113.98 0.93 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.195 0.521 . . . . 10.0 111.703 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -157.82 110.92 2.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.228 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -93.95 -179.62 5.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.582 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.275 -0.869 . . . . 10.0 110.079 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 121.034 0.445 . . . . 10.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.54 88.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.938 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -95.05 96.04 8.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.172 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -114.3 115.98 28.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.582 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p -151.29 98.42 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.771 0.32 . . . . 10.0 111.44 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -136.71 99.89 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.195 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -95.15 159.07 15.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -107.79 126.05 52.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.388 0.613 . . . . 10.0 110.702 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 14.7 mmt -97.14 166.63 11.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.262 -0.881 . . . . 10.0 112.241 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.161 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.03 -48.68 0.62 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.678 -1.248 . . . . 10.0 113.935 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 -5.63 24.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.611 0.706 . . . . 10.0 112.531 -177.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.69 -6.59 45.95 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.314 -0.946 . . . . 10.0 113.201 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.79 -32.6 70.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.776 0.322 . . . . 10.0 111.64 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.78 16.15 26.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -88.28 119.66 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.443 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.75 67.91 1.1 Allowed 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.23 161.89 29.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.537 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.43 34.49 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.4 0.619 . . . . 10.0 110.36 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 57' ' ' CYS . 4.8 tt -87.28 120.96 37.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.128 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 8.14 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.759 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -123.59 152.96 41.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.526 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -97.13 -178.78 4.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.407 ' H ' ' HG3' ' A' ' 24' ' ' MET . 3.6 ppp? -75.87 -25.41 56.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.66 -0.416 . . . . 10.0 110.038 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -90.68 25.23 2.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.33 -8.36 2.94 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.64 130.41 42.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.697 0.749 . . . . 10.0 111.664 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -77.25 128.17 33.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.4 t -68.27 139.98 55.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.683 0.754 . . . . 10.0 112.499 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -81.7 144.05 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.467 -1.242 . . . . 10.0 110.389 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.86 133.3 48.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.424 0.63 . . . . 10.0 112.051 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HB3' ' HG3' ' A' ' 44' ' ' PRO . 90.8 m95 -67.26 -52.22 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.343 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.25 -3.61 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.757 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 27.0 m -101.33 143.94 30.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.801 0.334 . . . . 10.0 111.655 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -81.38 139.04 35.54 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.771 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -147.19 154.24 45.85 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.433 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -41.52 -33.99 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.217 2.611 . . . . 10.0 112.248 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -86.98 98.8 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.43 149.84 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.892 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -147.53 135.36 21.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 10.0 110.742 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.81 -1.24 80.41 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -89.83 67.1 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.285 0.564 . . . . 10.0 110.62 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 45' ' ' SER . 35.1 mm -72.48 126.8 90.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.475 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 50.3 Cg_exo -57.5 -30.28 87.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.508 2.805 . . . . 10.0 113.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -67.33 -17.36 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.551 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HE2' ' OE1' ' B' ' 111' ' ' GLU . 12.2 mptt -84.35 -50.11 8.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.449 ' CE1' ' HB1' ' B' ' 108' ' ' ALA . 4.2 m-85 -116.21 83.12 12.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 10.0 111.341 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.41 -8.09 14.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.168 1.912 . . . . 10.0 111.961 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.62 -7.83 59.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.503 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 65.0 mmtt -102.4 4.96 39.44 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.134 -0.226 . . . . 10.0 111.325 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.33 54.19 7.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.605 0.717 . . . . 10.0 111.144 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.2 mp -81.03 93.06 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.434 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.13 151.61 49.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.136 0.493 . . . . 10.0 112.314 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 50.74 -107.6 0.3 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.645 -1.161 . . . . 10.0 111.761 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 26.9 p-10 -152.37 36.42 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.486 0.66 . . . . 10.0 109.515 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -79.31 150.64 31.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.99 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 20' ' ' ILE . 34.7 t -82.74 120.39 25.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.713 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -139.31 176.41 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -113.16 89.91 15.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.58 -26.29 2.16 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.243 1.962 . . . . 10.0 114.566 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.71 ' HA ' HD21 ' B' ' 112' ' ' LEU . 2.6 t0 -92.49 -6.89 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.034 -0.416 . . . . 10.0 111.205 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 66.08 30.75 9.33 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.613 0.72 . . . . 10.0 109.588 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.0 -157.9 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.952 -1.022 . . . . 10.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.94 -47.59 32.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.377 0.88 . . . . 10.0 113.377 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 79' ' ' TYR . 22.3 ptt180 -170.58 163.73 5.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 121.183 -0.207 . . . . 10.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 74.8 Cg_exo -52.58 149.53 24.02 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.919 2.413 . . . . 10.0 113.613 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -159.58 171.0 20.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.95 -1.023 . . . . 10.0 109.259 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.7 p -161.39 164.94 29.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.86 0.362 . . . . 10.0 110.999 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -78.06 156.74 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.921 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.4 142.46 50.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.942 0.401 . . . . 10.0 111.405 -177.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.6 28.72 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.543 . . . . 10.0 111.364 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -112.07 125.79 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.788 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 37.5 Cg_exo -60.31 -11.09 14.98 Favored 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.052 2.501 . . . . 10.0 114.329 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.57 -52.12 5.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 10.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.99 126.12 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.62 0.247 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 47.5 mtt180 -70.96 -36.85 72.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 10.0 110.384 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -155.65 160.3 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.036 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.13 155.96 43.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.05 0.452 . . . . 10.0 111.495 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 5.6 m-85 -88.48 158.92 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.088 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.32 133.31 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.96 119.37 28.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 10.0 110.651 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.81 138.2 30.93 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.975 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -50.4 127.2 19.61 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.075 2.516 . . . . 10.0 112.331 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -99.37 151.79 20.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.89 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' MET . 5.3 t -80.69 125.75 30.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.823 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.13 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.402 . . . . 10.0 110.438 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.536 -0.745 . . . . 10.0 110.461 179.841 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 112.072 -0.411 . . . . 10.0 112.072 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.68 14.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.784 0.292 . . . . 10.0 111.635 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.9 -33.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.45 137.08 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.32 . . . . 10.0 111.024 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -139.47 42.21 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.433 0.635 . . . . 10.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.67 136.57 45.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.977 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 2.0 m 64.65 28.1 13.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.545 0.688 . . . . 10.0 110.476 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.449 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -72.31 -45.8 58.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.24 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -55.27 -43.94 75.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.816 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.66 88.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 44.5 tt0 -67.71 -40.82 84.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' A' ' 61' ' ' ASP . 27.8 tp -58.84 -42.36 89.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.902 0.382 . . . . 10.0 110.905 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.91 -42.56 89.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 17.3 mmt180 -67.93 -36.63 80.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.786 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 84.9 mt -58.97 -42.59 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.895 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.23 -39.68 93.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.567 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.34 -30.87 69.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.591 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.66 -35.05 19.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 122' ' ' GLU . 32.9 ttp85 -72.73 -33.56 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.695 0.283 . . . . 10.0 110.744 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -43.08 85.91 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.27 -20.33 64.77 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 121.194 0.521 . . . . 10.0 109.884 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' B' ' 119' ' ' ARG . 40.3 tt0 -77.19 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.892 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.32 86.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.81 -27.59 65.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.728 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.66 -33.42 53.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.4 mm-40 -58.84 -29.37 66.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.248 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -43.88 90.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -36.77 81.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.398 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -56.76 -39.97 74.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.753 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 46.4 m -62.63 -41.29 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.991 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.39 -31.66 72.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.701 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.87 65.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.3 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.671 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -138.01 120.16 15.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.742 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.74 -21.24 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.469 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.16 -43.2 43.89 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -60.63 -45.16 95.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.109 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -45.55 -39.77 7.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.999 -1.0 . . . . 10.0 111.894 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -87.54 -31.19 20.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.912 0.387 . . . . 10.0 109.958 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.81 70.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.399 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -44.77 -9.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.296 1.591 . . . . 10.0 115.296 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 142' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' B' ' 144' ' ' ALA . 0.0 OUTLIER -49.05 -17.32 0.2 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.309 0.504 . . . . 10.0 111.892 179.485 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' B' ' 143' ' ' LYS . 3.2 ttpt -83.9 36.34 0.55 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 144' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' ' 142' ' ' ARG . . . -78.55 -43.14 27.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.06 . . . . 10.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 145' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.0 mp -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.255 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.47 -54.32 11.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.08 -46.2 68.5 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.726 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -69.53 -59.16 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.404 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 68.3 mt -84.41 50.9 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.935 0.397 . . . . 10.0 110.902 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -79.6 -58.51 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -111.13 156.41 21.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.26 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.44 -0.791 . . . . 10.0 110.63 -179.73 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.127 -0.323 . . . . 10.0 110.127 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.56 149.93 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 10.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -108.73 18.34 20.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.57 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -121.61 150.56 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.844 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -90.12 139.04 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.512 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -119.9 -8.24 9.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.298 0.57 . . . . 10.0 110.172 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -82.27 150.04 27.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.791 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 m -107.56 126.68 52.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.285 0.564 . . . . 10.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.0 mmt -95.95 168.93 10.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.605 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -64.76 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.403 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.4 -63.55 0.19 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.694 -1.241 . . . . 10.0 114.496 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -101.05 -1.98 32.78 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.517 0.659 . . . . 10.0 112.595 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.63 0.9 75.3 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.389 -0.91 . . . . 10.0 113.799 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.04 -26.86 64.95 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.797 0.332 . . . . 10.0 111.876 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -118.1 20.72 13.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -82.68 118.48 23.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.447 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.86 77.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.67 160.21 14.1 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.254 -0.974 . . . . 10.0 113.025 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -84.43 53.33 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 10.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 tt -99.29 114.92 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.279 -0.873 . . . . 10.0 109.796 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.11 0.87 15.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.586 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -120.69 158.51 27.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.447 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -99.0 172.1 7.62 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -64.01 -27.09 68.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.969 0.414 . . . . 10.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 24.99 2.09 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 -8.98 2.89 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 116.4 1.32 . . . . 10.0 116.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 mt -74.08 132.51 42.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.971 0.886 . . . . 10.0 112.036 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -75.2 132.32 41.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.284 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 35.9 t -70.76 142.1 51.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.535 0.683 . . . . 10.0 112.67 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -84.01 142.29 30.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.731 -1.122 . . . . 10.0 108.893 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.51 138.93 49.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 10.0 112.382 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -60.2 -51.37 69.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.02 -6.51 54.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.272 0.842 . . . . 10.0 113.272 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.8 m -87.41 135.35 33.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.512 -0.475 . . . . 10.0 112.003 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -91.65 84.25 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 10.0 109.138 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.59 154.8 42.45 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.622 -1.172 . . . . 10.0 109.627 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -38.62 -31.42 0.23 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.489 2.793 . . . . 10.0 112.801 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.93 96.94 9.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 148.9 51.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.45 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -152.03 150.59 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.044 0.45 . . . . 10.0 111.252 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.91 0.82 62.84 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.468 -0.787 . . . . 10.0 113.367 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -84.99 62.03 7.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 10.0 111.748 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 45' ' ' SER . 23.0 mm -73.96 126.69 89.16 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.65 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.36 -21.44 53.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.135 2.557 . . . . 10.0 113.289 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.462 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -70.59 -11.84 61.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.266 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.69 -55.0 3.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.926 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -120.09 82.45 29.67 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 120.735 0.302 . . . . 10.0 111.358 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -3.47 13.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.347 2.031 . . . . 10.0 111.932 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -76.67 -12.64 60.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.845 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -102.07 7.83 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.879 -0.329 . . . . 10.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t30 54.51 63.54 2.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.955 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.83 63.57 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.22 150.66 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 49.72 -113.31 0.62 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.372 -1.285 . . . . 10.0 112.469 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -146.5 33.43 0.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.792 0.806 . . . . 10.0 109.599 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -79.68 152.36 29.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.44 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -81.0 121.72 26.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -134.98 177.21 7.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.057 0.456 . . . . 10.0 110.628 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 62' ' ' ARG . 27.3 t-20 -121.13 95.63 48.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -86.99 -28.2 0.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.675 2.25 . . . . 10.0 115.842 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.807 ' HA ' HD21 ' B' ' 112' ' ' LEU . 1.6 m-20 -96.69 -1.11 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.614 0.643 . . . . 10.0 112.556 -177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 16.2 mtm180 66.54 32.81 7.04 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.419 0.628 . . . . 10.0 109.889 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.66 -160.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.031 -0.986 . . . . 10.0 112.111 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -51.52 -47.94 63.16 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -166.8 159.34 11.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.844 -0.343 . . . . 10.0 111.788 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.32 149.86 27.92 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.752 2.302 . . . . 10.0 112.663 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -157.18 173.25 17.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.732 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -162.65 162.21 26.89 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.396 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -76.31 155.26 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.518 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.07 142.59 50.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.996 0.427 . . . . 10.0 111.786 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -81.01 38.16 0.46 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.564 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -116.38 134.75 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.158 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 15.1 Cg_exo -69.04 -9.11 25.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.897 2.398 . . . . 10.0 113.561 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.55 -41.85 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.82 0.304 . . . . 10.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 129.59 53.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 10.0 110.95 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -75.36 -35.12 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.703 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -154.14 165.8 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -148.53 155.87 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.7 148.88 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.48 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.04 139.45 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.75 121.78 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 10.0 111.389 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.04 137.72 24.77 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.96 128.86 11.84 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.137 2.558 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -100.12 153.76 18.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.826 0.346 . . . . 10.0 110.673 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 9' ' ' MET . 6.2 t -81.14 113.47 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.183 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.39 -44.5 74.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 10.0 110.277 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.474 -0.775 . . . . 10.0 109.683 179.489 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.833 -0.507 . . . . 10.0 111.833 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 5.9 m -73.34 -53.64 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.96 0.409 . . . . 10.0 110.479 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.74 143.43 40.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.551 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.64 141.78 48.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -143.39 76.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.249 0.547 . . . . 10.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.3 112.28 24.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 10.7 m 66.56 111.15 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.466 0.65 . . . . 10.0 111.799 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.9 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.21 -42.51 77.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.52 86.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.889 0.376 . . . . 10.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 2.7 tp10 -64.87 -48.34 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.596 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.807 HD21 ' HA ' ' A' ' 61' ' ' ASP . 18.4 tp -61.73 -41.78 98.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.037 0.446 . . . . 10.0 110.34 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -61.6 -44.85 96.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -70.95 -36.27 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.275 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 68.4 mt -59.34 -40.19 85.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 10.0 109.543 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -66.52 -39.33 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.38 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.414 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.24 -41.16 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 mtm105 -67.72 -32.53 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.919 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -60.45 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -65.12 -23.61 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.622 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.3 OUTLIER -83.8 -42.21 16.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.359 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.29 95.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.951 0.405 . . . . 10.0 110.516 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.21 -25.37 64.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.344 0.593 . . . . 10.0 109.565 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -34.02 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.647 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 5.4 mm-40 -61.1 -28.25 68.95 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -35.06 73.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.143 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.81 -32.24 63.63 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.81 -35.81 64.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.123 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -40.96 95.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.6 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.553 ' OE1' ' HG3' ' B' ' 138' ' ' LYS . 29.4 mt-10 -64.72 -38.3 90.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.205 0.526 . . . . 10.0 110.576 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.11 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.319 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.66 -54.08 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.682 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -125.29 118.94 27.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -71.55 -25.93 62.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.61 -48.92 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -62.95 -32.66 74.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.153 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 138' ' ' LYS . . . . . 0.553 ' HG3' ' OE1' ' B' ' 131' ' ' GLU . 39.8 tttp -50.56 -44.37 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.082 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.34 -26.55 63.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.689 0.28 . . . . 10.0 111.23 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.04 84.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -16.6 3.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -64.5 -12.45 44.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.412 0.625 . . . . 10.0 110.292 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -73.99 87.38 1.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.895 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.53 -17.89 43.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.756 -0.656 . . . . 10.0 112.19 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.24 -53.16 60.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.718 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.61 -30.14 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.473 0.654 . . . . 10.0 110.53 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -61.09 2.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.991 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -63.82 -48.0 78.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.214 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.07 77.03 2.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.021 0.439 . . . . 10.0 110.806 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.76 108.04 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.363 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.34 -34.47 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.61 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.532 -179.018 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.813 0.34 . . . . 10.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.35 69.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.44 0.638 . . . . 10.0 110.312 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -109.52 -18.11 13.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.754 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.82 53.41 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.788 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.49 105.56 5.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -102.11 132.94 47.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 10.0 110.386 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.42 173.87 6.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.374 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.14 126.62 52.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.3 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 23.1 mmt -93.74 168.23 11.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.566 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -61.1 -56.44 20.84 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.873 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.23 -50.79 0.49 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 119.837 -1.173 . . . . 10.0 113.92 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -9.44 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.646 0.723 . . . . 10.0 112.882 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.53 36.1 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.442 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 4.2 tm-20 -58.78 -32.9 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 10.0 111.588 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -100.32 18.43 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.723 0.297 . . . . 10.0 111.588 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -97.41 128.38 44.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.726 0.298 . . . . 10.0 111.083 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -126.23 71.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.12 165.17 20.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.666 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -94.54 44.06 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.071 0.462 . . . . 10.0 110.669 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -94.53 118.87 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.09 8.06 12.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.218 0.532 . . . . 10.0 110.733 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -115.11 148.24 39.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.064 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 p -100.26 -174.08 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.77 62.04 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.52 -0.472 . . . . 10.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 m -91.94 24.91 3.0 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.02 -7.22 3.29 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.918 -1.134 . . . . 10.0 115.599 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HG3' ' A' ' 78' ' ' GLU . 27.5 mt -68.36 129.05 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.631 0.716 . . . . 10.0 111.351 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -80.39 132.21 35.73 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 38.9 t -70.13 134.05 47.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.448 -0.796 . . . . 10.0 112.626 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.096 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.2 129.77 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 10.0 110.381 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.81 -51.86 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.95 -7.88 44.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -104.1 134.76 46.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 10.0 111.521 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -87.07 101.2 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.023 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -91.48 159.16 39.53 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.359 -0.837 . . . . 10.0 109.138 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -36.23 -31.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.42 2.746 . . . . 10.0 112.904 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 73' ' ' PRO . 4.8 m-70 -90.55 113.66 25.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.91 145.44 51.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.677 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -141.42 138.41 32.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.306 0.574 . . . . 10.0 110.407 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.2 -1.16 76.02 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 115.28 -0.873 . . . . 10.0 113.616 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.43 67.05 6.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.59 . . . . 10.0 111.169 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 45' ' ' SER . 38.1 mm -72.59 125.27 91.35 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.756 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.2 -27.65 81.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.116 2.544 . . . . 10.0 113.302 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -69.88 -14.11 62.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.512 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' O ' ' HA ' ' B' ' 102' ' ' SER . 25.5 mmtp -86.28 -48.04 8.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.388 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.6 74.13 62.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HD2' ' O ' ' B' ' 102' ' ' SER . 72.0 Cg_endo -78.42 -5.97 15.24 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.558 2.172 . . . . 10.0 112.189 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -79.84 -0.98 36.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.718 . . . . 10.0 111.661 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -106.24 6.47 30.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t30 62.73 48.09 4.37 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.478 0.656 . . . . 10.0 111.416 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tp -81.23 83.78 6.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.413 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -122.87 158.61 29.96 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.031 0.443 . . . . 10.0 111.986 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt 53.63 -117.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.288 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -150.28 36.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.673 0.749 . . . . 10.0 109.828 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -86.0 157.71 20.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.735 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.2 t -85.41 120.87 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.012 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -135.56 172.71 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.995 0.426 . . . . 10.0 110.929 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 51.5 t-20 -125.15 86.49 56.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.252 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.67 -7.13 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.856 2.371 . . . . 10.0 114.215 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 1.002 ' HA ' HD21 ' B' ' 112' ' ' LEU . 6.5 t70 -105.83 -11.17 16.33 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 47.3 mtm105 72.98 21.94 3.11 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.997 0.519 . . . . 10.0 111.515 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.6 p-10 -69.88 -173.7 0.66 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.979 0.418 . . . . 10.0 111.368 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mp -48.49 -47.66 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.784 1.031 . . . . 10.0 113.784 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -157.08 148.3 16.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.479 -0.488 . . . . 10.0 112.209 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.65 149.17 19.4 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.243 2.629 . . . . 10.0 112.723 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -157.6 172.44 18.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.743 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 12.5 p -161.15 163.33 31.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.634 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.7 154.8 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.455 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.65 140.73 52.52 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.002 0.429 . . . . 10.0 110.608 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.98 39.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.654 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.65 123.93 29.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 38' ' ' HIS . 35.3 Cg_exo -59.4 -15.12 28.15 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.098 2.532 . . . . 10.0 114.251 -178.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -101.97 -26.42 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.841 0.353 . . . . 10.0 111.503 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -122.92 107.75 12.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.339 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 122' ' ' GLU . 50.0 mtm180 -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -152.51 158.55 42.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.7 mm-40 -146.46 152.12 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.645 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.69 154.25 26.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.013 0.435 . . . . 10.0 110.672 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.68 126.4 50.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.79 120.69 29.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.103 0.478 . . . . 10.0 110.92 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.82 134.67 25.86 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.373 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -44.34 126.93 7.02 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.468 2.779 . . . . 10.0 113.38 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -93.34 149.27 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.624 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 9' ' ' MET . 15.5 t -81.75 113.17 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.137 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.99 -71.69 0.53 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.185 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.189 -0.91 . . . . 10.0 109.735 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.892 -0.483 . . . . 10.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' SER . . . . . 0.725 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 66.2 m -155.0 -53.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 10.0 111.372 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 t -110.53 -24.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 10.0 110.785 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -85.24 159.24 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.275 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.32 132.84 53.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.374 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 11.0 m 76.31 -45.74 0.52 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.86 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.69 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.24 -45.06 68.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.889 0.376 . . . . 10.0 111.308 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.47 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -67.63 -39.42 84.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.311 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 1.002 HD21 ' HA ' ' A' ' 61' ' ' ASP . 17.6 tp -66.81 -42.05 86.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -64.14 -43.81 94.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.23 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 36.6 mmt-85 -63.71 -37.74 88.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.447 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.33 -36.6 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 10.0 110.13 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -38.94 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.826 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.37 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.259 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 3.9 mm-40 -78.96 -39.92 33.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.921 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' B' ' 119' ' ' ARG . 1.1 mtm105 -73.4 -33.38 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.188 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.23 -19.32 63.94 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.623 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -81.91 -49.49 10.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.764 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' B' ' 122' ' ' GLU . . . -62.22 -41.16 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.1 -20.55 60.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.36 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.35 -28.68 42.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 4.9 mm-40 -56.04 -31.27 62.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.653 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 17.5 ttt180 -65.65 -44.8 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.46 -38.27 90.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.61 -37.88 74.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.938 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 30.5 m -69.35 -42.5 75.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.608 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 80.7 mt-10 -64.35 -26.01 68.28 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.385 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -39.69 63.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 10.0 110.158 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.82 -59.8 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.214 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -106.94 109.58 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.49 -13.04 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.708 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.86 14.81 1.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 10.0 110.639 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -100.86 -4.56 27.6 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -90.07 65.71 6.57 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 106.518 -1.66 . . . . 10.0 106.518 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -83.7 -10.98 57.79 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 118.117 2.636 . . . . 10.0 118.117 -174.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -98.45 -92.54 0.25 Allowed 'General case' 0 C--N 1.351 0.637 1 C-N-CA 109.48 -4.888 . . . . 10.0 111.661 -175.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -106.98 -81.65 0.55 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 118.158 -1.417 . . . . 10.0 112.336 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -109.3 -57.22 2.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 122.632 1.206 . . . . 10.0 109.782 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.91 153.05 21.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 112.733 -2.03 . . . . 10.0 108.843 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -99.81 1.97 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.198 0.523 . . . . 10.0 110.566 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.28 -21.97 65.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.816 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -107.56 -26.51 10.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.726 0.298 . . . . 10.0 111.277 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.2 -63.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.894 0.378 . . . . 10.0 111.508 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.65 -61.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.75 -175.99 3.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -92.33 124.99 36.79 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.8 163.98 27.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 10.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.644 -0.693 . . . . 10.0 110.15 -179.541 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.938 0.399 . . . . 10.0 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m -118.9 173.94 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.503 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -78.22 -36.12 47.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.201 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -102.65 -166.89 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.152 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -152.71 116.52 4.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.655 0.264 . . . . 10.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -103.34 75.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.618 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -135.7 136.63 41.02 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.5 m -113.03 126.38 55.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.463 0.649 . . . . 10.0 111.408 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.86 168.59 10.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.931 -1.031 . . . . 10.0 110.506 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -61.4 -50.32 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.601 0.239 . . . . 10.0 110.729 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.22 -52.23 0.47 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.51 -1.328 . . . . 10.0 114.517 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 p -101.53 -4.83 26.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.723 0.762 . . . . 10.0 112.905 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.94 -6.72 47.15 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.914 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.34 -29.72 64.22 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.092 0.404 . . . . 10.0 112.092 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.96 20.73 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.457 . . . . 10.0 111.185 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -83.4 119.96 25.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -120.78 69.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.78 170.07 23.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.427 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -101.11 38.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.549 . . . . 10.0 110.718 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 tt -90.37 120.68 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.803 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -121.82 13.11 10.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.404 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -129.1 150.95 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.172 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -94.46 -170.6 2.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.671 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.06 -24.57 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.605 -0.438 . . . . 10.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -94.67 25.39 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.51 -0.76 16.8 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.173 -1.013 . . . . 10.0 115.351 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' THR . 52.9 mt -66.15 126.12 27.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.437 0.619 . . . . 10.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.91 129.52 34.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.295 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 44.5 t -73.86 134.75 43.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.588 0.709 . . . . 10.0 112.804 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.95 142.39 40.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.513 -1.221 . . . . 10.0 109.882 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.19 129.91 41.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 10.0 110.593 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.03 -51.84 67.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.492 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.3 6.25 10.43 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 13.8 t -100.65 133.15 45.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 10.0 111.111 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -81.26 92.29 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.701 0.762 . . . . 10.0 109.759 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 155.65 41.43 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.86 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -43.73 -27.88 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 123.465 2.776 . . . . 10.0 112.328 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -90.85 107.17 19.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.72 146.65 54.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.772 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -145.74 142.6 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.5 0.667 . . . . 10.0 110.829 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.92 4.67 71.9 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.114 -0.948 . . . . 10.0 113.92 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.1 63.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.345 0.573 . . . . 10.0 111.855 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 45' ' ' SER . 30.3 mm -73.54 129.59 85.27 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.274 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.08 -24.37 32.59 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.489 2.792 . . . . 10.0 113.997 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.44 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.0 m -68.77 -9.47 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.586 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 23.6 mtpt -89.91 -53.2 4.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.231 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -121.16 84.83 40.67 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-O 120.795 0.331 . . . . 10.0 111.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.46 -8.33 14.93 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.385 2.057 . . . . 10.0 112.221 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -76.06 -12.66 60.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.779 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.03 -2.81 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.701 0.286 . . . . 10.0 110.847 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t30 63.31 58.96 1.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.86 89.63 5.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.685 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.0 153.92 46.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.087 0.47 . . . . 10.0 112.083 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 56.7 -118.43 1.17 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.069 -0.969 . . . . 10.0 112.615 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -148.24 35.96 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.693 0.758 . . . . 10.0 109.686 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -82.49 154.45 25.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.967 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.05 120.3 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.845 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -136.23 167.13 21.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 10.0 111.134 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -112.2 97.31 38.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -92.32 -15.25 1.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.635 2.223 . . . . 10.0 115.284 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' HG ' ' B' ' 112' ' ' LEU . 14.7 t70 -103.41 -10.97 18.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.718 0.69 . . . . 10.0 112.59 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 60.5 mtm180 74.25 21.98 2.34 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.599 0.714 . . . . 10.0 109.207 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.79 -161.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.345 -1.298 . . . . 10.0 111.993 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.78 -48.33 41.17 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 11.6 ptp180 -168.63 163.3 8.19 Favored Pre-proline 0 C--N 1.323 -0.545 0 C-N-CA 120.714 -0.394 . . . . 10.0 111.376 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.93 147.38 33.14 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.571 2.181 . . . . 10.0 112.543 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -154.33 167.02 31.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.234 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 5.9 p -157.44 163.39 38.56 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.864 0.364 . . . . 10.0 110.851 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -78.39 155.61 29.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.436 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.416 HG21 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -130.01 149.09 51.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.138 0.494 . . . . 10.0 111.785 -176.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -79.5 27.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.133 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.45 119.7 47.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.98 -16.08 8.46 Favored 'Trans proline' 0 N--CA 1.481 0.746 0 C-N-CA 123.784 2.989 . . . . 10.0 115.087 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -104.18 -22.45 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.134 -0.354 . . . . 10.0 111.277 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -122.44 96.36 5.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 49.8 mtt180 -65.17 -37.27 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.229 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -156.41 163.25 39.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.342 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -154.79 161.69 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.403 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.492 ' HB3' ' HD2' ' A' ' 65' ' ' ARG . 76.5 m-85 -90.65 139.89 30.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.104 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.5 136.76 45.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.772 0.32 . . . . 10.0 110.236 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.3 t70 -88.35 113.86 24.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 10.0 111.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mt -124.99 133.03 24.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.465 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.22 129.72 6.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.567 2.844 . . . . 10.0 114.304 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -102.64 154.25 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.204 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.5 125.67 36.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 10.0 111.054 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.05 -67.21 0.88 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.155 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.27 -0.871 . . . . 10.0 109.496 179.047 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLY . . . . . 0.508 ' HA3' ' HG2' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.306 -0.318 . . . . 10.0 112.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.17 -52.49 3.99 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.032 0.752 . . . . 10.0 113.032 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.12 -10.09 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.749 0.648 . . . . 10.0 112.749 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.508 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 3.7 pt-20 -71.82 -33.56 68.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.201 -0.2 . . . . 10.0 111.461 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LYS . . . . . 0.458 ' HG3' ' H ' ' B' ' 105' ' ' LYS . 0.0 OUTLIER -78.49 143.99 36.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.56 116.06 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.732 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' THR . . . . . 0.4 HG22 ' H ' ' B' ' 110' ' ' ALA . 3.0 m 62.48 96.73 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.12 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.01 85.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.465 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.213 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ALA . . . . . 0.4 ' H ' HG22 ' B' ' 107' ' ' THR . . . -64.98 -40.53 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 10.0 111.107 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -41.71 79.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.523 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.585 ' HG ' ' OD2' ' A' ' 61' ' ' ASP . 10.3 tp -67.49 -35.06 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.728 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.02 -41.68 81.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 21.4 mmt180 -67.69 -36.4 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.243 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.74 -33.21 74.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.479 0.657 . . . . 10.0 109.612 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 36.2 tttt -66.5 -39.08 88.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.903 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -69.66 -23.71 63.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.075 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 23.2 mm-40 -78.38 -45.84 21.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.078 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -70.69 -34.53 72.07 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.395 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' B' ' 116' ' ' LYS . 0.0 OUTLIER -61.31 -49.3 77.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.998 179.343 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.23 -19.92 62.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 10.0 110.199 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -77.13 -52.53 9.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.579 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.65 88.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.194 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 120' ' ' HIS . 3.3 mt-10 -72.4 -23.48 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.692 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 125' ' ' LEU . 12.1 mt -76.69 -38.41 54.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.426 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.3 mm-40 -63.77 -28.11 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.518 178.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -39.59 94.18 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.577 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.48 -28.45 56.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.736 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.2 -33.42 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.18 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.35 -27.77 38.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.411 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.442 ' OE1' ' HG3' ' B' ' 138' ' ' LYS . 78.9 mt-10 -66.09 -19.52 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.465 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.42 70.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 10.0 110.399 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.96 -56.4 22.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.47 129.71 37.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.887 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.85 -18.51 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.41 -41.35 73.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 10.0 110.754 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -76.41 -6.11 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 138' ' ' LYS . . . . . 0.442 ' HG3' ' OE1' ' B' ' 131' ' ' GLU . 62.2 tttp -65.91 -16.75 64.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.188 0.518 . . . . 10.0 110.598 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.52 -42.76 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.268 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 140' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' B' ' 143' ' ' LYS . . . -82.22 -48.67 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.564 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -48.96 61.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -49.92 -12.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.606 1.335 . . . . 10.0 114.606 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 143' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' B' ' 140' ' ' ALA . 1.7 pttp -47.9 -19.35 0.23 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.51 54.29 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.678 0.275 . . . . 10.0 110.726 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.36 -38.71 69.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.841 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -40.29 93.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.306 0.574 . . . . 10.0 109.937 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.26 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.878 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -77.85 -11.06 59.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.589 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 27.3 mt -76.61 -10.74 59.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.394 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -80.93 -77.45 0.2 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.717 0.294 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -158.86 -157.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 13.9 p90 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.197 -0.906 . . . . 10.0 110.219 179.312 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -105.12 -177.97 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 10.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -84.35 139.91 31.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.342 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -111.72 139.08 47.48 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -123.44 131.95 53.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -113.53 -9.77 13.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.71 0.263 . . . . 10.0 111.71 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.49 166.78 4.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.702 0.287 . . . . 10.0 110.743 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 m -105.82 126.29 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.561 0.696 . . . . 10.0 110.954 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.07 168.98 10.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.287 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -69.02 -50.36 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.54 -58.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 119.533 -1.318 . . . . 10.0 114.592 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -101.11 -2.04 32.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.466 0.633 . . . . 10.0 112.271 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.5 23.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.596 -0.812 . . . . 10.0 113.803 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.2 tt0 -61.42 -39.96 92.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 10.0 111.446 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -92.64 17.78 9.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.996 0.426 . . . . 10.0 111.113 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -99.86 131.87 45.57 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -128.25 78.27 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.77 14.57 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.673 -0.775 . . . . 10.0 112.745 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -86.34 47.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.187 0.518 . . . . 10.0 111.035 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tt -96.48 113.06 29.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 2.31 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.186 0.517 . . . . 10.0 110.737 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -113.29 149.28 34.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.713 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 34.4 p -98.03 176.28 5.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.92 -30.31 70.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.889 0.376 . . . . 10.0 110.513 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -89.82 24.73 2.28 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.8 -4.09 8.19 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.968 1.147 . . . . 10.0 115.968 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.64 128.92 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.757 0.778 . . . . 10.0 111.772 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.1 136.35 44.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.376 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.7 t -71.17 140.01 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.736 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -76.19 147.97 38.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.729 -1.123 . . . . 10.0 109.974 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.0 132.67 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 10.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -70.29 -53.43 16.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -71.24 -14.61 62.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.0 m -97.32 130.27 44.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.969 0.414 . . . . 10.0 111.62 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.1 tp60 -79.79 110.29 15.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.381 0.61 . . . . 10.0 109.677 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 155.92 42.96 Favored Pre-proline 0 C--N 1.313 -0.997 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.819 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -32.63 -43.78 0.19 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 124.305 3.337 . . . . 10.0 113.414 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -80.65 104.3 11.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 144.09 57.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.204 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.18 142.52 30.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 110.275 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.22 1.82 65.07 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-N 115.485 -0.779 . . . . 10.0 113.323 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.85 64.02 3.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.127 0.489 . . . . 10.0 112.03 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mm -74.03 129.6 84.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.338 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.61 -28.96 68.05 Favored 'Trans proline' 0 N--CA 1.482 0.813 0 C-N-CA 123.669 2.912 . . . . 10.0 113.848 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -10.66 39.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.059 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -87.73 -54.38 4.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.794 -0.184 . . . . 10.0 111.274 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE1' ' HB1' ' B' ' 108' ' ' ALA . 49.8 m-85 -122.0 84.3 44.87 Favored Pre-proline 0 C--O 1.234 0.283 0 CA-C-O 120.8 0.333 . . . . 10.0 111.039 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.67 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.596 2.198 . . . . 10.0 112.276 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.98 -10.77 59.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.373 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -103.02 2.57 35.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.702 0.287 . . . . 10.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.61 62.1 2.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.793 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.29 91.61 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.89 149.44 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 55.01 -110.16 0.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.873 -1.058 . . . . 10.0 112.609 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -151.27 36.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.595 0.712 . . . . 10.0 109.6 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -79.84 151.55 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.5 t -84.68 127.76 34.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.492 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.62 173.86 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.888 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 11.3 t30 -119.85 94.94 48.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 121.056 0.455 . . . . 10.0 110.219 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.38 -8.2 1.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.598 2.199 . . . . 10.0 114.103 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.25 -6.74 27.51 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.948 -0.47 . . . . 10.0 112.211 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 68.89 22.83 6.99 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 10.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.428 ' N ' HD22 ' A' ' 59' ' ' ASN . 4.3 p30 -75.07 -158.13 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.337 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.36 -47.94 80.32 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB2' ' HD2' ' A' ' 66' ' ' PRO . 33.2 ptt180 -170.94 159.4 5.47 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 112.094 0.405 . . . . 10.0 112.094 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 93.7 Cg_exo -45.28 142.79 5.86 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.903 3.069 . . . . 10.0 114.728 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -157.84 168.91 25.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.426 -1.261 . . . . 10.0 108.162 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.0 p -163.19 163.31 25.62 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.643 -0.423 . . . . 10.0 111.552 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -76.82 156.18 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.206 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.14 146.08 50.52 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.676 -0.409 . . . . 10.0 111.042 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -79.34 36.89 0.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 10.0 112.068 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 127.85 26.43 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.65 -13.99 33.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.012 2.475 . . . . 10.0 114.217 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -99.84 -26.6 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.165 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -123.25 106.37 10.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.694 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 10.0 110.547 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.49 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 60.0 p-90 -153.17 163.83 39.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.077 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.65 166.56 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 10.0 111.695 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.38 146.31 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.092 -0.958 . . . . 10.0 111.536 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 3.4 m -117.1 129.51 56.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.738 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.47 117.7 26.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 10.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -121.56 130.08 24.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.211 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -47.63 135.68 21.55 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.273 2.649 . . . . 10.0 113.347 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -98.28 154.55 17.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.142 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.5 t -73.7 165.42 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.47 119.0 16.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.78 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.345 -0.836 . . . . 10.0 110.407 -179.672 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.533 -0.627 . . . . 10.0 111.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -22.81 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 10.0 111.684 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.0 t -84.38 -58.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 10.0 109.793 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 104' ' ' GLU . 0.2 OUTLIER -81.21 89.73 6.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.833 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -132.8 31.06 3.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.413 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 63.0 mt -73.29 140.84 47.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.672 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.08 49.93 16.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.211 0.529 . . . . 10.0 110.488 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -56.78 -44.07 81.49 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.297 -0.865 . . . . 10.0 112.486 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.09 -45.72 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 10.0 111.404 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.74 81.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 10.0 110.502 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -52.67 63.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.173 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 47' ' ' PHE . 11.5 tp -62.87 -38.82 92.4 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.369 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.94 -37.15 83.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' B' ' 119' ' ' ARG . 51.3 mt -59.62 -39.14 83.3 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -61.82 -40.91 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.204 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -65.88 -29.3 69.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.555 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.25 -41.26 57.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 115' ' ' LEU . 3.1 mtm105 -66.53 -28.98 68.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.92 -49.76 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.543 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -67.81 -20.37 65.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 36.5 tt0 -77.75 -50.56 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ALA . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -60.16 -46.23 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.829 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.48 -27.56 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.237 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 125' ' ' LEU . 12.1 mt -75.44 -37.82 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 6.9 mm-40 -60.01 -30.76 69.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.323 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -43.5 98.37 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.9 -33.05 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.34 -35.17 75.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.697 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.7 m -62.65 -39.33 93.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' GLU . . . . . 0.457 ' HB3' ' HD2' ' B' ' 138' ' ' LYS . 74.3 mt-10 -71.83 -35.19 69.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.234 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.17 92.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.79 -53.12 61.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.255 -0.884 . . . . 10.0 110.963 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -109.56 108.68 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.845 0.355 . . . . 10.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -64.37 -22.87 67.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.059 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.11 -55.52 13.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.048 0.451 . . . . 10.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.73 -41.22 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.852 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 138' ' ' LYS . . . . . 0.457 ' HD2' ' HB3' ' B' ' 131' ' ' GLU . 1.1 tttp -50.22 -47.16 54.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.012 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.7 -41.02 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.354 -0.216 . . . . 10.0 111.288 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.0 -45.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.758 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -15.71 61.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.662 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -89.14 -39.79 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -43.23 -48.17 6.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 114.991 -1.004 . . . . 10.0 112.268 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.5 60.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.38 -34.59 70.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 10.0 110.745 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.38 -27.82 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.915 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.61 -45.08 17.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.03 -66.15 0.57 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 10.0 111.035 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.88 70.94 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.221 0.534 . . . . 10.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -97.41 127.57 43.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.316 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.09 171.96 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.49 . . . . 10.0 111.124 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 C--O 1.245 0.837 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.635 179.419 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.6 m . . . . . 0 N--CA 1.451 -0.395 0 CA-C-O 121.28 0.562 . . . . 10.0 111.534 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.558 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.4 mmt -99.93 169.14 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -69.78 -53.55 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.215 -0.194 . . . . 10.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.19 -57.92 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 119.115 -1.517 . . . . 10.0 115.038 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -2.79 28.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.816 0.808 . . . . 10.0 112.946 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.98 2.26 29.91 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.618 -0.801 . . . . 10.0 112.915 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 2.5 tm-20 -66.18 -29.67 70.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.934 0.494 . . . . 10.0 112.285 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -111.69 21.08 16.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 10.0 110.806 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -100.57 136.88 39.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.774 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -128.72 76.8 1.74 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.232 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.23 166.21 26.89 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.752 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -94.48 53.37 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 10.0 110.499 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -101.76 119.34 49.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.826 -1.079 . . . . 10.0 109.789 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 p -121.17 14.38 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 10.0 111.41 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -129.01 157.82 40.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.629 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.1 p -100.03 170.46 8.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.62 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 ptp -67.01 -24.8 66.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.017 0.437 . . . . 10.0 110.403 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 m -91.86 25.59 2.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -4.85 6.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.166 1.226 . . . . 10.0 116.166 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.47 131.66 38.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.834 0.817 . . . . 10.0 111.725 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.93 135.45 41.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.447 -0.797 . . . . 10.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 29.7 t -78.92 138.51 38.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.317 0.58 . . . . 10.0 111.634 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 23.0 tt0 -74.36 149.83 40.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.869 -1.059 . . . . 10.0 110.246 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -74.74 138.15 42.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.4 -53.63 52.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -83.07 4.44 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.94 0.718 . . . . 10.0 112.94 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 74.4 m -98.01 126.27 43.36 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.178 -0.209 . . . . 10.0 110.557 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -81.84 92.23 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 10.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.36 158.37 38.96 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.749 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -38.83 -33.99 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.184 2.589 . . . . 10.0 112.136 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 42.3 m170 -82.87 100.46 10.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.25 143.05 57.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.766 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -135.99 134.85 39.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.024 0.44 . . . . 10.0 109.915 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.27 -1.33 75.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.759 -0.734 . . . . 10.0 113.275 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.78 75.01 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.488 -0.419 . . . . 10.0 111.089 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 45' ' ' SER . 26.2 mm -73.48 125.73 90.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.211 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 32.5 Cg_exo -59.38 -25.34 78.15 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.256 2.637 . . . . 10.0 113.265 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.438 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -65.51 -20.27 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 10.0 110.713 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -103.06 0.24 31.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.949 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -146.89 57.28 3.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.121 -0.945 . . . . 10.0 110.771 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.33 -15.17 16.06 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.096 1.864 . . . . 10.0 112.23 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -96.57 11.53 34.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.122 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -107.68 3.42 24.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 57.67 46.38 17.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.357 0.599 . . . . 10.0 111.26 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.81 87.99 5.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.81 150.42 49.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.122 0.487 . . . . 10.0 112.176 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 52.62 -114.38 0.84 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.834 -1.075 . . . . 10.0 112.696 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -148.4 34.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.641 0.734 . . . . 10.0 109.937 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.43 148.47 30.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -81.41 121.7 26.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.308 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -137.14 179.56 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.847 0.356 . . . . 10.0 110.875 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 40.1 t-20 -117.35 87.77 25.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -81.91 -23.04 4.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.752 2.302 . . . . 10.0 114.711 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.582 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . 3.0 t0 -104.44 2.95 31.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.384 0.538 . . . . 10.0 111.915 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 88.9 mtm180 68.78 30.85 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.674 0.75 . . . . 10.0 110.05 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.582 ' OD1' ' HB3' ' A' ' 61' ' ' ASP . 5.7 m-20 -64.9 174.08 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.339 -1.3 . . . . 10.0 111.52 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.73 -44.31 48.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.652 -1.158 . . . . 10.0 110.406 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -150.79 156.28 35.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.063 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HG2' HD12 ' A' ' 82' ' ' ILE . 48.1 Cg_exo -56.04 153.43 32.26 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.838 2.359 . . . . 10.0 112.627 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -151.62 163.35 39.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 6.0 p -151.58 156.62 40.85 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.192 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -77.54 155.0 31.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.67 140.38 52.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.816 -0.353 . . . . 10.0 111.56 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 32.76 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 10.0 111.056 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -116.0 118.79 37.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.725 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.67 -19.17 1.91 Allowed 'Trans proline' 0 N--CA 1.479 0.667 0 C-N-CA 124.213 3.275 . . . . 10.0 115.507 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.55 -23.66 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.0 -0.437 . . . . 10.0 112.17 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -123.92 101.99 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.308 0.114 . . . . 10.0 111.308 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -59.69 -45.58 91.67 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.752 0.311 . . . . 10.0 111.034 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -159.22 163.68 35.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.099 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -150.8 161.54 42.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.075 0.464 . . . . 10.0 111.382 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -85.52 158.74 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.434 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.1 t -120.84 125.6 47.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.273 -0.171 . . . . 10.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -88.92 115.34 26.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.231 0.539 . . . . 10.0 110.924 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.409 HD12 ' HG2' ' A' ' 66' ' ' PRO . 32.7 mt -122.34 136.21 26.26 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.55 133.54 12.99 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.296 2.664 . . . . 10.0 112.569 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -106.05 155.26 19.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.826 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' MET . 49.6 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.524 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 N--CA 1.463 0.195 0 N-CA-C 112.143 0.423 . . . . 10.0 112.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.47 -42.04 88.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.876 0.37 . . . . 10.0 111.047 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 26.0 tt0 -65.94 -38.72 89.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.831 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -64.92 -43.5 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.006 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.3 -42.98 96.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.203 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 14.2 mmt180 -66.56 -36.88 83.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.436 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 85.7 mt -63.41 -33.24 75.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.284 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -63.19 -41.57 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.3 -29.95 69.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.809 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -71.57 -42.37 67.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.46 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -65.68 -37.36 86.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.029 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -46.31 85.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.439 -0.801 . . . . 10.0 110.068 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.68 -24.99 62.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.12 -51.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 10.0 111.418 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.58 84.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 10.0 111.164 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -77.55 -22.19 51.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.416 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.06 -33.83 61.75 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.001 -1.111 . . . . 10.0 108.001 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.341 177.763 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 10.9 tttp . . . . . 0 CA--C 1.533 0.32 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -98.73 -17.49 18.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 117.528 2.418 . . . . 10.0 117.528 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.49 -72.85 0.5 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 120.501 3.519 . . . . 10.0 120.501 -170.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.29 -81.8 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 120.551 3.537 . . . . 10.0 120.551 -173.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -56.89 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 119.22 3.044 . . . . 10.0 119.22 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -34.86 -48.71 0.41 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.462 2.023 . . . . 10.0 116.462 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.12 -59.55 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.962 0.801 . . . . 10.0 110.92 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.06 -43.89 51.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.272 -0.876 . . . . 10.0 112.113 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.78 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -50.18 -52.35 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.728 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -63.12 -62.82 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.313 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp 58.47 -114.84 0.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.532 0.52 . . . . 10.0 110.197 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.643 0.258 . . . . 10.0 110.81 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.5 m . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.151 0.5 . . . . 10.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 mmt -94.2 169.34 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.53 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.57 -53.33 49.45 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.583 -0.281 . . . . 10.0 110.832 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.436 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 155.56 -52.18 0.44 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.406 -1.378 . . . . 10.0 114.376 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -3.75 29.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.65 -14.42 18.35 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.013 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.51 -32.91 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.921 0.391 . . . . 10.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -102.87 18.33 21.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.956 0.408 . . . . 10.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -90.6 123.72 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.375 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -126.27 76.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.44 161.9 13.51 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.67 -0.776 . . . . 10.0 113.313 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -86.68 48.75 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 10.0 111.771 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 tt -97.1 116.36 39.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.119 0.485 . . . . 10.0 110.012 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -107.54 8.16 29.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -129.25 161.04 31.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.498 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.411 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -101.51 -167.25 1.39 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -74.17 -27.82 61.01 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.28 26.61 3.69 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.151 0.797 . . . . 10.0 113.151 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.64 -5.3 5.92 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 116.47 1.348 . . . . 10.0 116.47 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.39 136.12 54.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 118.449 1.124 . . . . 10.0 112.183 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.62 128.8 36.03 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.698 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.1 t -75.42 136.42 40.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.659 0.742 . . . . 10.0 112.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.31 138.26 40.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.73 -1.123 . . . . 10.0 110.002 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.28 135.78 55.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.25 . . . . 10.0 110.337 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.69 -52.33 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.321 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.36 3.22 16.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 11.7 t -98.93 135.07 40.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.92 0.391 . . . . 10.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -91.41 90.13 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.462 0.648 . . . . 10.0 110.036 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.84 157.97 35.03 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.069 -0.968 . . . . 10.0 109.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -35.48 -35.31 0.13 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.589 2.859 . . . . 10.0 113.126 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.459 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 57.0 m170 -83.98 102.73 12.67 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.85 152.47 45.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.98 145.73 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.497 0.665 . . . . 10.0 111.633 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.21 -4.06 58.63 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 115.145 -0.934 . . . . 10.0 113.01 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -87.54 63.32 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.287 0.565 . . . . 10.0 110.826 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 45' ' ' SER . 30.8 mm -72.57 125.92 91.06 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.256 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 52.9 Cg_exo -57.44 -23.86 57.89 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.387 2.724 . . . . 10.0 113.384 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m -68.34 -12.68 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.7 -52.55 5.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.52 81.56 31.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.484 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.41 -4.02 13.39 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.411 2.074 . . . . 10.0 112.07 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -84.16 5.87 24.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.197 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -111.19 5.97 20.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.639 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.15 51.52 10.21 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.216 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.9 mp -80.59 73.65 7.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.233 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.84 155.87 24.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.621 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 54.53 -113.58 0.8 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.21 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -151.94 34.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 10.0 110.379 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -79.39 157.68 27.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.473 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.9 t -87.37 128.49 35.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.871 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.02 169.84 22.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -110.06 99.37 39.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 10.0 109.992 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.91 -15.55 1.3 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.55 2.167 . . . . 10.0 114.187 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' B' ' 112' ' ' LEU . 14.2 t70 -95.76 -12.65 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.163 -0.335 . . . . 10.0 111.814 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 15.0 mtm180 73.36 24.79 2.29 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.896 0.855 . . . . 10.0 108.952 -177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -78.03 -165.61 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.495 -1.229 . . . . 10.0 111.963 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.39 -47.57 72.56 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.41 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 34.3 ptt180 -161.8 152.78 15.11 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.501 -0.479 . . . . 10.0 112.099 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.05 146.6 16.91 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.142 2.561 . . . . 10.0 112.732 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 42.0 p-90 -154.12 171.72 18.69 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.543 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -158.53 160.87 37.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.73 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.18 155.92 31.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.566 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.16 140.73 52.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.017 0.437 . . . . 10.0 111.407 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.16 37.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.938 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -116.4 118.19 37.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.54 -11.46 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.513 2.809 . . . . 10.0 115.022 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -101.16 -26.72 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.997 -0.439 . . . . 10.0 111.199 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -122.77 108.89 13.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -67.0 -40.44 87.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.733 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -153.65 161.62 41.99 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 10.0 110.072 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -150.85 155.12 38.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.998 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 85.9 m-85 -95.89 147.5 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.285 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 2.7 t -113.44 145.11 41.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.37 126.24 35.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.779 0.323 . . . . 10.0 111.395 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.58 129.78 24.91 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.86 131.98 21.33 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.216 2.61 . . . . 10.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.41 150.93 20.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 10.0 110.894 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.436 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 14.1 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.389 179.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.468 0.472 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.37 -38.7 90.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 10.0 110.657 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.1 tt0 -67.99 -37.32 81.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.535 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 61' ' ' ASP . 28.0 tp -65.0 -42.73 94.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.64 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.77 -41.89 92.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.041 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -70.21 -33.6 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.522 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 74.0 mt -58.46 -38.39 77.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -66.84 -39.03 87.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.111 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.03 -32.01 71.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.111 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -80.51 -43.32 20.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.514 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -69.38 -36.0 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.792 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.07 81.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.605 -0.438 . . . . 10.0 109.881 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 18.1 mm-40 -66.73 -24.01 66.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.162 0.506 . . . . 10.0 109.932 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.32 -47.21 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.718 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.51 91.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.662 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.39 -30.78 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 121' ' ' GLU . 16.4 mt -67.06 -38.3 85.55 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 CA--C 1.533 0.29 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.872 178.078 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tttp . . . . . 0 C--O 1.234 0.269 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.83 -19.47 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.098 -0.376 . . . . 10.0 111.852 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.24 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 10.0 110.787 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.12 -15.79 16.2 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -62.59 -12.59 23.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.076 0.465 . . . . 10.0 111.214 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.74 -18.16 63.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.05 64.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.81 -39.22 76.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.32 -25.82 58.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.97 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.75 -32.02 46.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.79 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -78.87 -46.59 18.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.98 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.6 146.15 40.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 10.0 110.461 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.817 -179.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.4 m . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 121.269 0.557 . . . . 10.0 110.345 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.445 ' HG3' HG22 ' A' ' 82' ' ' ILE . 12.2 mmt -98.11 168.5 10.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.313 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -56.41 -46.4 80.2 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.518 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.42 -44.55 0.83 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.182 -1.009 . . . . 10.0 113.008 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -3.08 32.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.98 0.39 . . . . 10.0 111.744 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.71 -20.18 3.71 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.835 -0.697 . . . . 10.0 114.198 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -58.48 -43.42 88.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.017 0.408 . . . . 10.0 111.637 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -86.95 16.65 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 10.0 111.568 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -101.58 133.06 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.12 82.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.32 158.72 15.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.284 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -93.67 47.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 10.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 tt -102.33 120.1 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.645 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.24 22.75 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.242 0.544 . . . . 10.0 110.778 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -124.56 152.25 43.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.07 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -100.4 -175.65 2.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.617 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.45 -31.27 68.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.888 0.375 . . . . 10.0 111.484 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -93.94 26.99 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.97 -2.19 8.97 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.002 -1.094 . . . . 10.0 115.786 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.42 130.85 43.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.583 0.692 . . . . 10.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.5 128.73 35.96 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.336 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.98 138.35 47.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 10.0 112.713 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 3.0 tt0 -82.08 142.16 32.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.231 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -68.33 136.69 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.622 0.248 . . . . 10.0 111.41 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -60.36 -52.67 64.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.124 -0.489 . . . . 10.0 112.266 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -78.49 2.77 17.92 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t -98.35 126.57 43.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.121 0.486 . . . . 10.0 111.002 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.79 94.97 7.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.199 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 p -95.81 156.89 36.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.786 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -36.09 -42.44 0.6 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.874 3.049 . . . . 10.0 112.541 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -78.99 116.73 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.02 147.08 50.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.637 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -144.6 134.25 23.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.199 0.523 . . . . 10.0 110.066 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.53 82.01 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.556 -0.747 . . . . 10.0 113.762 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.25 68.34 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.322 0.561 . . . . 10.0 111.34 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 45' ' ' SER . 41.5 mm -71.97 124.85 91.46 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.514 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 55.6 Cg_endo -68.5 -13.34 37.18 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 123.237 2.625 . . . . 10.0 113.269 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 43' ' ' ILE . 4.4 m -75.6 -11.62 60.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.639 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 69.3 mmtt -90.84 -47.2 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.216 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.49 82.61 15.66 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.538 0.209 . . . . 10.0 111.35 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 3.1 Cg_exo -80.22 -6.63 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.812 2.342 . . . . 10.0 112.453 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -84.89 6.51 24.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.466 . . . . 10.0 112.101 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.54 8.69 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.711 0.291 . . . . 10.0 111.117 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.2 t30 53.78 53.55 11.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.847 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.1 mp -80.87 78.36 7.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.871 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -123.13 160.89 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.928 0.394 . . . . 10.0 111.982 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.27 -119.53 1.34 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.004 -0.998 . . . . 10.0 112.33 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -148.88 34.09 0.76 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.69 . . . . 10.0 109.994 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.85 155.07 24.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 39.6 t -80.86 120.23 24.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.741 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -135.43 -179.66 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 10.0 110.767 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.413 HD21 ' CG ' ' A' ' 63' ' ' ASP . 11.2 t-20 -142.07 85.82 10.71 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.999 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -84.64 0.07 9.16 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.117 1.878 . . . . 10.0 114.818 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.494 ' OD1' ' HD3' ' B' ' 116' ' ' LYS . 10.0 t70 -107.64 -11.16 15.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.0 0.818 . . . . 10.0 112.284 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 82.1 mtm180 72.06 26.02 2.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.984 0.513 . . . . 10.0 111.718 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.413 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.5 p30 -71.24 -162.54 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.795 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.7 mp -52.19 -49.23 64.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 33.1 ptt180 -169.01 155.01 6.33 Favored Pre-proline 0 N--CA 1.465 0.298 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HA ' HD22 ' A' ' 59' ' ' ASN . 89.2 Cg_exo -47.13 144.89 8.3 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.676 2.917 . . . . 10.0 114.101 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.458 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 61.7 p-90 -161.81 170.1 20.15 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.218 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.9 p -162.61 168.58 21.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.821 0.344 . . . . 10.0 110.586 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -76.96 155.02 33.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.95 144.65 50.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.97 0.414 . . . . 10.0 111.569 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -78.31 27.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.807 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.64 119.36 52.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.66 -17.81 30.44 Favored 'Trans proline' 0 N--CA 1.476 0.483 0 C-N-CA 123.171 2.58 . . . . 10.0 113.483 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -97.98 -21.54 16.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.465 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -124.67 103.94 8.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 39.6 mtt180 -57.13 -43.34 82.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.953 0.406 . . . . 10.0 111.137 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -156.03 163.17 40.02 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.223 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -148.44 154.62 40.13 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.523 0.514 . . . . 10.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.46 158.32 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.493 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.7 t -125.34 130.14 51.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.48 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -88.63 116.3 26.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.847 0.356 . . . . 10.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' A' ' 9' ' ' MET . 37.9 mt -117.96 135.25 23.34 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -50.24 132.35 33.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.179 2.586 . . . . 10.0 113.251 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -102.91 153.46 20.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.052 179.689 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 N--CA 1.465 0.325 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.84 -36.98 83.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.691 0.282 . . . . 10.0 110.777 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 3.3 tp10 -60.48 -48.16 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.49 -39.1 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -61.5 -42.48 98.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.015 0.436 . . . . 10.0 110.155 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 27.5 mmt180 -66.81 -37.92 85.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.517 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 93.5 mt -57.28 -38.75 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 10.0 110.337 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . 0.494 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 20.2 mtmt -68.4 -36.94 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -61.75 -31.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.404 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 15.5 mm-40 -84.59 -28.7 26.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.17 0.509 . . . . 10.0 109.835 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -73.56 -34.18 65.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.425 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.74 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.578 -0.897 . . . . 10.0 108.578 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 125' ' ' LEU . 18.3 mm-40 -70.96 -22.67 62.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.876 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.411 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 23.8 tt0 -78.59 -51.58 9.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.62 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.79 92.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.72 -28.22 61.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 121' ' ' GLU . 2.4 mt -72.11 -36.93 69.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 . . . . . 0 C--N 1.334 -0.105 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.399 178.088 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.1 tttp . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.087 0.402 . . . . 10.0 112.087 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.08 -48.36 76.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 10.0 111.088 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -30.94 58.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.717 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -89.19 -27.76 20.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.04 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -46.75 -36.27 7.06 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.834 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -51.8 -14.33 0.35 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' B' ' 149' ' ' LEU . 9.1 mp -55.41 -44.14 75.93 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.064 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.74 -51.88 44.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.893 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.83 -45.73 59.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.525 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -73.24 -39.13 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' B' ' 145' ' ' LEU . 20.1 tp -59.23 96.3 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.552 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.158 179.778 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.454 -0.226 0 CA-C-O 120.878 0.371 . . . . 10.0 110.116 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 mmt -93.64 166.16 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.25 -60.16 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.05 -52.47 0.4 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.126 -1.035 . . . . 10.0 114.037 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.62 -2.78 31.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.631 0.715 . . . . 10.0 112.387 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.87 -22.1 3.63 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.342 -0.932 . . . . 10.0 113.834 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.4 tt0 -58.45 -34.4 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.948 0.374 . . . . 10.0 111.648 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.41 16.14 12.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -99.34 125.29 44.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.31 41.03 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.431 . . . . 10.0 110.252 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.04 160.45 52.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.27 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -87.65 53.95 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.193 0.521 . . . . 10.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.3 tt -102.2 116.46 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.006 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -119.61 5.75 11.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.095 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -111.7 149.58 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.4 p -101.49 169.59 8.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -61.14 -33.26 73.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.339 . . . . 10.0 111.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.06 24.48 2.81 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -3.14 9.02 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.543 0.977 . . . . 10.0 115.543 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.08 128.77 37.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 117.609 0.705 . . . . 10.0 111.626 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -75.92 130.78 39.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.8 t -81.7 125.78 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.239 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.8 142.98 40.1 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.437 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -60.4 137.19 58.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -63.13 -52.31 63.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.804 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.71 -9.8 55.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -90.8 136.68 32.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.875 0.369 . . . . 10.0 111.884 -178.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.36 82.7 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 m -91.54 155.58 43.83 Favored Pre-proline 0 C--N 1.317 -0.818 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.757 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -31.88 -45.13 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 124.362 3.375 . . . . 10.0 113.601 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 34.1 m170 -86.43 112.31 21.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.42 147.57 39.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.594 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -144.62 143.2 30.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.293 0.568 . . . . 10.0 110.192 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 1.33 81.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.282 -0.872 . . . . 10.0 113.128 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.98 62.68 3.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.194 0.521 . . . . 10.0 111.642 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 45' ' ' SER . 45.5 mm -73.53 126.41 89.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.706 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 50.4 Cg_exo -54.61 -22.43 28.42 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.653 2.902 . . . . 10.0 114.075 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.3 m -68.77 -16.31 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.838 0.352 . . . . 10.0 111.321 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -51.78 7.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.21 79.54 27.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.714 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.74 -8.35 19.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.354 2.036 . . . . 10.0 112.28 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -85.25 -1.39 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.343 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 69.1 mmtt -100.23 4.73 44.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.726 0.298 . . . . 10.0 110.688 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.92 53.82 5.45 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.578 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.88 97.43 7.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.04 151.95 48.54 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 48.04 -112.13 0.45 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.592 -1.186 . . . . 10.0 112.942 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -143.78 32.15 1.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.501 0.667 . . . . 10.0 110.052 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -83.28 157.18 22.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.49 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -87.8 125.22 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.396 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -140.89 177.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 47.3 t-20 -120.77 99.32 47.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -89.52 -14.7 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.477 2.118 . . . . 10.0 114.946 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 6.4 t70 -108.52 -13.06 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.595 0.634 . . . . 10.0 112.438 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 20.2 mtm105 73.13 28.0 1.93 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.433 0.635 . . . . 10.0 110.038 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.05 -163.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.818 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.39 -47.35 37.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.404 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 13.8 ptt180 -167.34 157.3 9.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 121.099 -0.24 . . . . 10.0 111.266 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HG3' ' HB2' ' A' ' 59' ' ' ASN . 71.6 Cg_exo -51.19 150.71 13.76 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.199 2.599 . . . . 10.0 113.335 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 16.2 p-90 -154.24 169.61 23.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.476 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.626 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.2 p -153.49 153.1 31.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.82 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.51 155.2 36.36 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 144.81 50.96 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.478 -0.489 . . . . 10.0 111.472 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.44 31.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.445 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.486 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -109.16 115.73 56.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.62 -9.51 2.8 Favored 'Trans proline' 0 N--CA 1.482 0.804 0 C-N-CA 123.649 2.9 . . . . 10.0 114.881 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -105.09 -26.32 12.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.636 0.255 . . . . 10.0 111.187 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -123.3 105.03 9.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.107 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 60.4 mtt180 -60.89 -42.84 98.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.338 . . . . 10.0 111.558 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -155.09 165.74 35.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.517 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.67 151.43 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 10.0 110.865 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.39 149.68 24.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.789 -0.642 . . . . 10.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -113.6 131.85 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.584 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.53 120.89 32.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.35 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' A' ' 66' ' ' PRO . 96.1 mt -122.39 132.73 24.22 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.185 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -45.89 129.39 12.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.951 2.434 . . . . 10.0 112.336 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -104.54 155.01 19.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.128 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.151 -179.642 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 t70 . . . . . 0 N--CA 1.47 0.526 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.637 0.256 . . . . 10.0 111.11 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.3 tt0 -65.07 -41.39 95.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 30.0 tp -61.93 -40.77 96.64 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.832 0.349 . . . . 10.0 110.296 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.392 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 19.9 mmt180 -64.94 -36.27 83.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.284 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 91.4 mt -59.82 -39.8 86.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.917 0.389 . . . . 10.0 110.092 178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -68.85 -40.85 79.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -61.73 -28.61 69.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.323 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.72 -37.17 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -70.83 -33.1 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.898 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.2 81.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.56 -23.24 63.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.285 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.444 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 11.2 tt0 -75.51 -52.81 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.94 85.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -74.12 -27.71 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 125' ' ' LEU . 11.9 mt -68.77 -34.53 75.71 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--O 1.235 0.338 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.468 177.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.1 tttp . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . 0.552 ' HA ' ' CB ' ' B' ' 144' ' ' ALA . 8.8 mt-10 -85.82 -15.63 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.351 -0.843 . . . . 10.0 111.606 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.16 -68.13 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 115.861 1.8 . . . . 10.0 115.861 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.14 -83.18 0.4 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 142' ' ' ARG . 0.1 OUTLIER -117.72 -17.87 9.77 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.522 1.055 . . . . 10.0 112.845 -178.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 143' ' ' LYS . 0.1 OUTLIER -52.71 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -171.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' B' ' 139' ' ' GLU . . . -46.3 -48.66 18.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.564 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.4 mp -54.51 -31.26 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -81.24 -45.02 16.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.023 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.29 -41.62 60.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.891 0.377 . . . . 10.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.54 -69.76 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.803 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.64 108.54 9.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.134 0.492 . . . . 10.0 111.212 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.635 179.372 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.7 m . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 121.183 0.516 . . . . 10.0 111.119 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 mmt -91.5 168.09 11.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.184 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -71.21 -48.17 53.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.7 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.404 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 160.31 -65.39 0.28 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.544 -1.312 . . . . 10.0 113.893 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -100.29 -1.97 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 -10.84 13.89 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.653 -0.784 . . . . 10.0 113.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -34.22 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -98.78 15.05 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 10.0 111.574 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -89.71 125.15 35.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -112.79 46.0 1.26 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.27 144.65 36.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.627 -0.797 . . . . 10.0 112.73 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.11 59.91 5.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.298 0.57 . . . . 10.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.419 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 m -111.64 1.0 16.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -121.36 156.56 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.765 0.317 . . . . 10.0 110.74 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 p -100.88 -175.83 3.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -70.53 -33.25 70.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.061 0.458 . . . . 10.0 110.749 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.93 24.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.282 0.845 . . . . 10.0 113.282 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.52 -3.34 8.69 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.168 -1.015 . . . . 10.0 115.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.88 126.09 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.291 0.545 . . . . 10.0 111.627 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.79 137.58 39.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.898 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 11.3 t -81.46 131.0 35.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.507 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.42 151.11 42.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.779 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -67.36 137.28 55.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 10.0 110.845 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.51 -52.54 57.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.28 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.8 -5.6 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 t -92.68 135.25 34.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.892 0.377 . . . . 10.0 111.203 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.68 93.01 4.82 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 m -92.36 155.62 42.31 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.318 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.8 -36.19 4.9 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.653 2.902 . . . . 10.0 112.235 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -85.75 112.68 21.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.71 143.59 54.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.676 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -144.99 139.26 27.36 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.145 0.498 . . . . 10.0 110.232 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.27 0.62 72.0 Favored Glycine 0 C--N 1.321 -0.301 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.585 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.01 62.58 3.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.106 0.479 . . . . 10.0 111.63 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mm -73.33 128.49 87.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.206 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.16 -27.84 48.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.5 2.8 . . . . 10.0 113.391 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -22.82 67.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.819 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -79.03 -52.01 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.736 0.303 . . . . 10.0 111.417 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.483 ' CE2' HD13 ' B' ' 112' ' ' LEU . 4.1 m-85 -122.05 79.39 42.63 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 10.0 110.381 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.55 -7.88 17.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.981 2.454 . . . . 10.0 112.107 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -79.21 -1.04 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.235 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -106.9 5.67 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 10.0 110.592 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.6 t30 55.53 55.79 6.92 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.815 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.03 93.12 6.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -128.37 151.76 48.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.887 0.375 . . . . 10.0 111.889 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 54.09 -111.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.287 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -150.05 36.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 10.0 110.245 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -80.62 154.66 27.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -76.2 120.32 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -125.74 176.36 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.326 0.584 . . . . 10.0 111.756 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -143.38 88.21 8.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.21 -7.69 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.383 2.055 . . . . 10.0 115.348 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' B' ' 112' ' ' LEU . 18.0 t70 -109.53 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.702 0.683 . . . . 10.0 112.048 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 75.58 31.31 0.75 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 10.0 110.344 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -70.81 -164.7 0.1 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.294 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.4 mp -53.62 -48.89 68.88 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.518 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -163.85 153.2 12.26 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.899 -0.321 . . . . 10.0 111.443 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.15 150.17 10.94 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.24 2.627 . . . . 10.0 113.049 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . 0.478 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 35.0 p-90 -159.29 171.71 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.42 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.8 p -159.91 166.01 31.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.903 0.382 . . . . 10.0 111.383 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.67 155.56 25.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.35 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.54 143.66 49.58 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.56 -0.456 . . . . 10.0 111.778 -176.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 p -77.25 31.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.603 . . . . 10.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.8 120.93 33.51 Favored Pre-proline 0 C--N 1.321 -0.665 0 O-C-N 122.204 -0.31 . . . . 10.0 110.496 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.9 -12.99 7.88 Favored 'Trans proline' 0 N--CA 1.477 0.507 0 C-N-CA 123.317 2.678 . . . . 10.0 114.276 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -95.84 -26.38 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.114 -0.366 . . . . 10.0 111.278 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.2 105.44 9.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.035 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.64 -40.99 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 10.0 110.375 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 26.6 p-90 -157.12 168.82 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.107 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -154.73 155.51 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.508 0.505 . . . . 10.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -90.41 141.02 29.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 132.94 51.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 10.0 110.133 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.518 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 38.2 t70 -87.22 117.1 25.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.488 0.661 . . . . 10.0 111.654 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.73 133.62 24.55 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.575 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.61 134.48 27.09 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.438 2.758 . . . . 10.0 113.093 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -100.74 155.01 18.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.404 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 0.8 OUTLIER . . . . . 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.482 -179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 C--O 1.233 0.202 0 CA-C-O 120.877 0.37 . . . . 10.0 110.534 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.56 95.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.389 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 22.7 tt0 -67.06 -42.27 85.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.283 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 47' ' ' PHE . 18.4 tp -61.13 -39.66 90.9 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.3 90.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.836 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' B' ' 114' ' ' ARG . 23.7 mmt180 -63.56 -38.62 91.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.958 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 96.3 mt -57.38 -37.74 73.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 10.0 110.009 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . 0.426 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 37.1 mtmt -70.99 -37.44 72.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.856 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.21 -32.87 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.35 0.595 . . . . 10.0 109.771 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -76.45 -37.99 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.815 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -65.25 -39.37 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.473 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -35.37 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -26.58 61.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -81.03 -48.3 12.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.009 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.425 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -59.14 -46.29 88.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.759 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.22 -26.47 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.823 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 125' ' ' LEU . 8.8 mt -75.25 -35.53 61.39 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 . . . . . 0 C--O 1.234 0.252 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.839 177.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 31.2 tttp . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.55 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 10.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -91.51 -16.15 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.796 0.808 . . . . 10.0 110.391 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 -5.57 52.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.505 -1.225 . . . . 10.0 113.521 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.454 ' HD3' HD22 ' B' ' 145' ' ' LEU . 0.0 OUTLIER -46.93 -61.85 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -173.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.441 ' C ' ' HD3' ' B' ' 143' ' ' LYS . 7.1 tmtt? 72.38 -62.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.61 0.364 . . . . 10.0 111.334 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.6 70.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.137 0.494 . . . . 10.0 111.71 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' B' ' 142' ' ' ARG . 7.4 mp -68.14 -24.56 65.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.71 -12.7 57.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.758 0.79 . . . . 10.0 109.2 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -93.97 -44.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.99 -1.004 . . . . 10.0 108.662 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -54.37 -44.16 71.99 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.822 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.34 113.98 0.93 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.195 0.521 . . . . 10.0 111.703 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.228 -179.854 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.236 0.342 0 CA-C-O 121.388 0.613 . . . . 10.0 110.702 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 14.7 mmt -97.14 166.63 11.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.262 -0.881 . . . . 10.0 112.241 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.161 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.03 -48.68 0.62 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.678 -1.248 . . . . 10.0 113.935 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 -5.63 24.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.611 0.706 . . . . 10.0 112.531 -177.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.69 -6.59 45.95 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.314 -0.946 . . . . 10.0 113.201 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.79 -32.6 70.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.776 0.322 . . . . 10.0 111.64 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.78 16.15 26.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -88.28 119.66 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.443 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.75 67.91 1.1 Allowed 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.23 161.89 29.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.537 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.43 34.49 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.4 0.619 . . . . 10.0 110.36 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 57' ' ' CYS . 4.8 tt -87.28 120.96 37.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.128 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 8.14 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.759 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -123.59 152.96 41.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.526 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -97.13 -178.78 4.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.407 ' H ' ' HG3' ' A' ' 24' ' ' MET . 3.6 ppp? -75.87 -25.41 56.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.66 -0.416 . . . . 10.0 110.038 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -90.68 25.23 2.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.33 -8.36 2.94 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.64 130.41 42.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.697 0.749 . . . . 10.0 111.664 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -77.25 128.17 33.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.4 t -68.27 139.98 55.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.683 0.754 . . . . 10.0 112.499 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -81.7 144.05 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.467 -1.242 . . . . 10.0 110.389 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.86 133.3 48.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.424 0.63 . . . . 10.0 112.051 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HB3' ' HG3' ' A' ' 44' ' ' PRO . 90.8 m95 -67.26 -52.22 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.343 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.25 -3.61 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.757 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 27.0 m -101.33 143.94 30.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.801 0.334 . . . . 10.0 111.655 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -81.38 139.04 35.54 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.771 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -147.19 154.24 45.85 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.433 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -41.52 -33.99 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.217 2.611 . . . . 10.0 112.248 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -86.98 98.8 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.43 149.84 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.892 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -147.53 135.36 21.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 10.0 110.742 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.81 -1.24 80.41 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -89.83 67.1 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.285 0.564 . . . . 10.0 110.62 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 45' ' ' SER . 35.1 mm -72.48 126.8 90.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.475 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 50.3 Cg_exo -57.5 -30.28 87.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.508 2.805 . . . . 10.0 113.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -67.33 -17.36 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.551 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HE2' ' OE1' ' B' ' 111' ' ' GLU . 12.2 mptt -84.35 -50.11 8.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -116.21 83.12 12.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 10.0 111.341 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.41 -8.09 14.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.168 1.912 . . . . 10.0 111.961 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.62 -7.83 59.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.503 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 65.0 mmtt -102.4 4.96 39.44 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.134 -0.226 . . . . 10.0 111.325 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.33 54.19 7.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.605 0.717 . . . . 10.0 111.144 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.2 mp -81.03 93.06 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.434 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.13 151.61 49.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.136 0.493 . . . . 10.0 112.314 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 50.74 -107.6 0.3 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.645 -1.161 . . . . 10.0 111.761 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 26.9 p-10 -152.37 36.42 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.486 0.66 . . . . 10.0 109.515 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -79.31 150.64 31.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.99 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 20' ' ' ILE . 34.7 t -82.74 120.39 25.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.713 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -139.31 176.41 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -113.16 89.91 15.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.58 -26.29 2.16 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.243 1.962 . . . . 10.0 114.566 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.71 ' HA ' HD21 ' B' ' 112' ' ' LEU . 2.6 t0 -92.49 -6.89 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.034 -0.416 . . . . 10.0 111.205 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 66.08 30.75 9.33 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.613 0.72 . . . . 10.0 109.588 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.0 -157.9 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.952 -1.022 . . . . 10.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.94 -47.59 32.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.377 0.88 . . . . 10.0 113.377 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 79' ' ' TYR . 22.3 ptt180 -170.58 163.73 5.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 121.183 -0.207 . . . . 10.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 74.8 Cg_exo -52.58 149.53 24.02 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.919 2.413 . . . . 10.0 113.613 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -159.58 171.0 20.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.95 -1.023 . . . . 10.0 109.259 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.7 p -161.39 164.94 29.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.86 0.362 . . . . 10.0 110.999 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -78.06 156.74 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.921 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.4 142.46 50.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.942 0.401 . . . . 10.0 111.405 -177.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.6 28.72 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.543 . . . . 10.0 111.364 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -112.07 125.79 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.788 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 37.5 Cg_exo -60.31 -11.09 14.98 Favored 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.052 2.501 . . . . 10.0 114.329 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.57 -52.12 5.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 10.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.99 126.12 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.62 0.247 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 47.5 mtt180 -70.96 -36.85 72.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 10.0 110.384 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -155.65 160.3 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.036 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.13 155.96 43.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.05 0.452 . . . . 10.0 111.495 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 5.6 m-85 -88.48 158.92 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.088 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.32 133.31 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.96 119.37 28.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 10.0 110.651 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.81 138.2 30.93 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.975 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -50.4 127.2 19.61 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.075 2.516 . . . . 10.0 112.331 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -99.37 151.79 20.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.89 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' MET . 5.3 t . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.823 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.466 0.366 0 CA-C-O 120.744 0.307 . . . . 10.0 111.816 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.66 88.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 44.5 tt0 -67.71 -40.82 84.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' A' ' 61' ' ' ASP . 27.8 tp -58.84 -42.36 89.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.902 0.382 . . . . 10.0 110.905 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.91 -42.56 89.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 17.3 mmt180 -67.93 -36.63 80.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.786 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 84.9 mt -58.97 -42.59 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.895 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.23 -39.68 93.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.567 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.34 -30.87 69.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.591 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.66 -35.05 19.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 122' ' ' GLU . 32.9 ttp85 -72.73 -33.56 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.695 0.283 . . . . 10.0 110.744 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -43.08 85.91 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.27 -20.33 64.77 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 121.194 0.521 . . . . 10.0 109.884 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' B' ' 119' ' ' ARG . 40.3 tt0 -77.19 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.892 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.32 86.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.81 -27.59 65.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.728 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.66 -33.42 53.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.4 mm-40 . . . . . 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.248 177.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.1 tttp . . . . . 0 CA--C 1.529 0.149 0 N-CA-C 111.894 0.331 . . . . 10.0 111.894 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -87.54 -31.19 20.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.912 0.387 . . . . 10.0 109.958 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.81 70.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.399 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -44.77 -9.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.296 1.591 . . . . 10.0 115.296 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' B' ' 144' ' ' ALA . 0.0 OUTLIER -49.05 -17.32 0.2 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.309 0.504 . . . . 10.0 111.892 179.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' B' ' 143' ' ' LYS . 3.2 ttpt -83.9 36.34 0.55 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' ' 142' ' ' ARG . . . -78.55 -43.14 27.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.06 . . . . 10.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.0 mp -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.255 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.47 -54.32 11.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.08 -46.2 68.5 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.726 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -69.53 -59.16 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.404 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 68.3 mt -84.41 50.9 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.935 0.397 . . . . 10.0 110.902 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.107 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 m . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.285 0.564 . . . . 10.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.0 mmt -95.95 168.93 10.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.605 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -64.76 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.403 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.4 -63.55 0.19 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.694 -1.241 . . . . 10.0 114.496 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -101.05 -1.98 32.78 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.517 0.659 . . . . 10.0 112.595 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.63 0.9 75.3 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.389 -0.91 . . . . 10.0 113.799 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.04 -26.86 64.95 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.797 0.332 . . . . 10.0 111.876 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -118.1 20.72 13.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -82.68 118.48 23.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.447 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.86 77.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.67 160.21 14.1 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.254 -0.974 . . . . 10.0 113.025 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -84.43 53.33 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 10.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 tt -99.29 114.92 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.279 -0.873 . . . . 10.0 109.796 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.11 0.87 15.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.586 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -120.69 158.51 27.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.447 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -99.0 172.1 7.62 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -64.01 -27.09 68.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.969 0.414 . . . . 10.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 24.99 2.09 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 -8.98 2.89 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 116.4 1.32 . . . . 10.0 116.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 mt -74.08 132.51 42.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.971 0.886 . . . . 10.0 112.036 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -75.2 132.32 41.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.284 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 35.9 t -70.76 142.1 51.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.535 0.683 . . . . 10.0 112.67 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -84.01 142.29 30.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.731 -1.122 . . . . 10.0 108.893 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.51 138.93 49.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 10.0 112.382 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -60.2 -51.37 69.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.02 -6.51 54.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.272 0.842 . . . . 10.0 113.272 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.8 m -87.41 135.35 33.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.512 -0.475 . . . . 10.0 112.003 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -91.65 84.25 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 10.0 109.138 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.59 154.8 42.45 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.622 -1.172 . . . . 10.0 109.627 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -38.62 -31.42 0.23 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.489 2.793 . . . . 10.0 112.801 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.93 96.94 9.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 148.9 51.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.45 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -152.03 150.59 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.044 0.45 . . . . 10.0 111.252 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.91 0.82 62.84 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.468 -0.787 . . . . 10.0 113.367 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -84.99 62.03 7.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 10.0 111.748 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 45' ' ' SER . 23.0 mm -73.96 126.69 89.16 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.65 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.36 -21.44 53.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.135 2.557 . . . . 10.0 113.289 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.462 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -70.59 -11.84 61.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.266 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.69 -55.0 3.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.926 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -120.09 82.45 29.67 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 120.735 0.302 . . . . 10.0 111.358 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -3.47 13.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.347 2.031 . . . . 10.0 111.932 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -76.67 -12.64 60.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.845 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -102.07 7.83 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.879 -0.329 . . . . 10.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t30 54.51 63.54 2.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.955 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.83 63.57 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.22 150.66 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 49.72 -113.31 0.62 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.372 -1.285 . . . . 10.0 112.469 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -146.5 33.43 0.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.792 0.806 . . . . 10.0 109.599 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -79.68 152.36 29.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.44 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -81.0 121.72 26.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -134.98 177.21 7.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.057 0.456 . . . . 10.0 110.628 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 62' ' ' ARG . 27.3 t-20 -121.13 95.63 48.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -86.99 -28.2 0.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.675 2.25 . . . . 10.0 115.842 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.807 ' HA ' HD21 ' B' ' 112' ' ' LEU . 1.6 m-20 -96.69 -1.11 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.614 0.643 . . . . 10.0 112.556 -177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 16.2 mtm180 66.54 32.81 7.04 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.419 0.628 . . . . 10.0 109.889 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.66 -160.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.031 -0.986 . . . . 10.0 112.111 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -51.52 -47.94 63.16 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -166.8 159.34 11.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.844 -0.343 . . . . 10.0 111.788 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.32 149.86 27.92 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.752 2.302 . . . . 10.0 112.663 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -157.18 173.25 17.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.732 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -162.65 162.21 26.89 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.396 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -76.31 155.26 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.518 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.07 142.59 50.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.996 0.427 . . . . 10.0 111.786 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -81.01 38.16 0.46 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.564 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -116.38 134.75 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.158 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 15.1 Cg_exo -69.04 -9.11 25.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.897 2.398 . . . . 10.0 113.561 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.55 -41.85 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.82 0.304 . . . . 10.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 129.59 53.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 10.0 110.95 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -75.36 -35.12 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.703 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -154.14 165.8 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -148.53 155.87 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.7 148.88 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.48 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.04 139.45 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.75 121.78 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 10.0 111.389 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.04 137.72 24.77 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.96 128.86 11.84 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.137 2.558 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -100.12 153.76 18.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.826 0.346 . . . . 10.0 110.673 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 9' ' ' MET . 6.2 t . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.183 -179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.52 86.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.889 0.376 . . . . 10.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 2.7 tp10 -64.87 -48.34 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.596 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.807 HD21 ' HA ' ' A' ' 61' ' ' ASP . 18.4 tp -61.73 -41.78 98.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.037 0.446 . . . . 10.0 110.34 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -61.6 -44.85 96.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -70.95 -36.27 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.275 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 68.4 mt -59.34 -40.19 85.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 10.0 109.543 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -66.52 -39.33 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.38 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.414 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.24 -41.16 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 mtm105 -67.72 -32.53 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.919 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -60.45 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -65.12 -23.61 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.622 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.3 OUTLIER -83.8 -42.21 16.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.359 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.29 95.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.951 0.405 . . . . 10.0 110.516 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.21 -25.37 64.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.344 0.593 . . . . 10.0 109.565 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -34.02 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.647 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 5.4 mm-40 . . . . . 0 C--N 1.332 -0.187 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 39.8 tttp . . . . . 0 C--O 1.231 0.131 0 N-CA-C 112.082 0.401 . . . . 10.0 112.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.34 -26.55 63.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.689 0.28 . . . . 10.0 111.23 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.04 84.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -16.6 3.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -64.5 -12.45 44.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.412 0.625 . . . . 10.0 110.292 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -73.99 87.38 1.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.895 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.53 -17.89 43.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.756 -0.656 . . . . 10.0 112.19 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.24 -53.16 60.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.718 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.61 -30.14 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.473 0.654 . . . . 10.0 110.53 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -61.09 2.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.991 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -63.82 -48.0 78.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.214 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.07 77.03 2.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.021 0.439 . . . . 10.0 110.806 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.363 179.687 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.974 0.416 . . . . 10.0 110.3 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 23.1 mmt -93.74 168.23 11.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.566 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -61.1 -56.44 20.84 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.873 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.23 -50.79 0.49 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 119.837 -1.173 . . . . 10.0 113.92 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -9.44 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.646 0.723 . . . . 10.0 112.882 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.53 36.1 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.442 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 4.2 tm-20 -58.78 -32.9 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 10.0 111.588 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -100.32 18.43 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.723 0.297 . . . . 10.0 111.588 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -97.41 128.38 44.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.726 0.298 . . . . 10.0 111.083 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -126.23 71.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.12 165.17 20.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.666 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -94.54 44.06 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.071 0.462 . . . . 10.0 110.669 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -94.53 118.87 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.09 8.06 12.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.218 0.532 . . . . 10.0 110.733 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -115.11 148.24 39.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.064 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 p -100.26 -174.08 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.77 62.04 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.52 -0.472 . . . . 10.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 m -91.94 24.91 3.0 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.02 -7.22 3.29 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.918 -1.134 . . . . 10.0 115.599 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HG3' ' A' ' 78' ' ' GLU . 27.5 mt -68.36 129.05 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.631 0.716 . . . . 10.0 111.351 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -80.39 132.21 35.73 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 38.9 t -70.13 134.05 47.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.448 -0.796 . . . . 10.0 112.626 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.096 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.2 129.77 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 10.0 110.381 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.81 -51.86 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.95 -7.88 44.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -104.1 134.76 46.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 10.0 111.521 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -87.07 101.2 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.023 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -91.48 159.16 39.53 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.359 -0.837 . . . . 10.0 109.138 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -36.23 -31.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.42 2.746 . . . . 10.0 112.904 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -90.55 113.66 25.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.91 145.44 51.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.677 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -141.42 138.41 32.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.306 0.574 . . . . 10.0 110.407 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.2 -1.16 76.02 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 115.28 -0.873 . . . . 10.0 113.616 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.43 67.05 6.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.59 . . . . 10.0 111.169 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 45' ' ' SER . 38.1 mm -72.59 125.27 91.35 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.756 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.2 -27.65 81.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.116 2.544 . . . . 10.0 113.302 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -69.88 -14.11 62.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.512 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -86.28 -48.04 8.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.388 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.6 74.13 62.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.42 -5.97 15.24 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.558 2.172 . . . . 10.0 112.189 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -79.84 -0.98 36.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.718 . . . . 10.0 111.661 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -106.24 6.47 30.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t30 62.73 48.09 4.37 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.478 0.656 . . . . 10.0 111.416 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tp -81.23 83.78 6.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.413 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -122.87 158.61 29.96 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.031 0.443 . . . . 10.0 111.986 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt 53.63 -117.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.288 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -150.28 36.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.673 0.749 . . . . 10.0 109.828 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -86.0 157.71 20.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.735 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.2 t -85.41 120.87 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.012 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -135.56 172.71 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.995 0.426 . . . . 10.0 110.929 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 51.5 t-20 -125.15 86.49 56.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.67 -7.13 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.856 2.371 . . . . 10.0 114.215 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 1.002 ' HA ' HD21 ' B' ' 112' ' ' LEU . 6.5 t70 -105.83 -11.17 16.33 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 47.3 mtm105 72.98 21.94 3.11 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.997 0.519 . . . . 10.0 111.515 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.6 p-10 -69.88 -173.7 0.66 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.979 0.418 . . . . 10.0 111.368 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mp -48.49 -47.66 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.784 1.031 . . . . 10.0 113.784 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -157.08 148.3 16.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.479 -0.488 . . . . 10.0 112.209 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.65 149.17 19.4 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.243 2.629 . . . . 10.0 112.723 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -157.6 172.44 18.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.743 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 12.5 p -161.15 163.33 31.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.634 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.7 154.8 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.455 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.65 140.73 52.52 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.002 0.429 . . . . 10.0 110.608 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.98 39.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.654 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.65 123.93 29.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.4 -15.12 28.15 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.098 2.532 . . . . 10.0 114.251 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -101.97 -26.42 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.841 0.353 . . . . 10.0 111.503 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -122.92 107.75 12.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.339 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 122' ' ' GLU . 50.0 mtm180 -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -152.51 158.55 42.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.7 mm-40 -146.46 152.12 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.645 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.69 154.25 26.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.013 0.435 . . . . 10.0 110.672 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.68 126.4 50.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.79 120.69 29.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.103 0.478 . . . . 10.0 110.92 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.82 134.67 25.86 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.373 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -44.34 126.93 7.02 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.468 2.779 . . . . 10.0 113.38 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -93.34 149.27 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.624 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 9' ' ' MET . 15.5 t . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.137 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 . . . . . 0 N--CA 1.465 0.3 0 CA-C-O 120.889 0.376 . . . . 10.0 111.308 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.47 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -67.63 -39.42 84.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.311 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 1.002 HD21 ' HA ' ' A' ' 61' ' ' ASP . 17.6 tp -66.81 -42.05 86.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -64.14 -43.81 94.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.23 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 36.6 mmt-85 -63.71 -37.74 88.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.447 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.33 -36.6 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 10.0 110.13 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -38.94 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.826 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.37 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.259 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 3.9 mm-40 -78.96 -39.92 33.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.921 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' B' ' 119' ' ' ARG . 1.1 mtm105 -73.4 -33.38 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.188 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.23 -19.32 63.94 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.623 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -81.91 -49.49 10.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.764 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' B' ' 122' ' ' GLU . . . -62.22 -41.16 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.1 -20.55 60.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.36 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.35 -28.68 42.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 4.9 mm-40 . . . . . 0 C--N 1.332 -0.173 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.653 177.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? . . . . . 0 N--CA 1.463 0.214 0 N-CA-C 106.518 -1.66 . . . . 10.0 106.518 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -83.7 -10.98 57.79 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 118.117 2.636 . . . . 10.0 118.117 -174.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -98.45 -92.54 0.25 Allowed 'General case' 0 C--N 1.351 0.637 1 C-N-CA 109.48 -4.888 . . . . 10.0 111.661 -175.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -106.98 -81.65 0.55 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 118.158 -1.417 . . . . 10.0 112.336 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -109.3 -57.22 2.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 122.632 1.206 . . . . 10.0 109.782 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.91 153.05 21.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 112.733 -2.03 . . . . 10.0 108.843 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -99.81 1.97 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.198 0.523 . . . . 10.0 110.566 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.28 -21.97 65.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.816 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -107.56 -26.51 10.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.726 0.298 . . . . 10.0 111.277 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.2 -63.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.894 0.378 . . . . 10.0 111.508 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.65 -61.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.75 -175.99 3.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.631 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.011 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.463 0.649 . . . . 10.0 111.408 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.86 168.59 10.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.931 -1.031 . . . . 10.0 110.506 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -61.4 -50.32 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.601 0.239 . . . . 10.0 110.729 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.22 -52.23 0.47 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.51 -1.328 . . . . 10.0 114.517 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 p -101.53 -4.83 26.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.723 0.762 . . . . 10.0 112.905 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.94 -6.72 47.15 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.914 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.34 -29.72 64.22 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.092 0.404 . . . . 10.0 112.092 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.96 20.73 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.457 . . . . 10.0 111.185 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -83.4 119.96 25.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -120.78 69.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.78 170.07 23.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.427 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -101.11 38.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.549 . . . . 10.0 110.718 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 tt -90.37 120.68 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.803 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -121.82 13.11 10.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.404 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -129.1 150.95 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.172 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -94.46 -170.6 2.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.671 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.06 -24.57 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.605 -0.438 . . . . 10.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -94.67 25.39 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.51 -0.76 16.8 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.173 -1.013 . . . . 10.0 115.351 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' THR . 52.9 mt -66.15 126.12 27.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.437 0.619 . . . . 10.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.91 129.52 34.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.295 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 44.5 t -73.86 134.75 43.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.588 0.709 . . . . 10.0 112.804 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.95 142.39 40.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.513 -1.221 . . . . 10.0 109.882 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.19 129.91 41.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 10.0 110.593 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.03 -51.84 67.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.492 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.3 6.25 10.43 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 13.8 t -100.65 133.15 45.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 10.0 111.111 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -81.26 92.29 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.701 0.762 . . . . 10.0 109.759 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 155.65 41.43 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.86 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -43.73 -27.88 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 123.465 2.776 . . . . 10.0 112.328 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -90.85 107.17 19.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.72 146.65 54.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.772 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -145.74 142.6 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.5 0.667 . . . . 10.0 110.829 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.92 4.67 71.9 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.114 -0.948 . . . . 10.0 113.92 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.1 63.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.345 0.573 . . . . 10.0 111.855 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 45' ' ' SER . 30.3 mm -73.54 129.59 85.27 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.274 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.08 -24.37 32.59 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.489 2.792 . . . . 10.0 113.997 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.44 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.0 m -68.77 -9.47 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.586 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -89.91 -53.2 4.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.231 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -121.16 84.83 40.67 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-O 120.795 0.331 . . . . 10.0 111.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.46 -8.33 14.93 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.385 2.057 . . . . 10.0 112.221 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -76.06 -12.66 60.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.779 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.03 -2.81 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.701 0.286 . . . . 10.0 110.847 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t30 63.31 58.96 1.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.86 89.63 5.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.685 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.0 153.92 46.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.087 0.47 . . . . 10.0 112.083 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 56.7 -118.43 1.17 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.069 -0.969 . . . . 10.0 112.615 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -148.24 35.96 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.693 0.758 . . . . 10.0 109.686 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -82.49 154.45 25.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.967 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.05 120.3 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.845 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -136.23 167.13 21.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 10.0 111.134 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -112.2 97.31 38.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -92.32 -15.25 1.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.635 2.223 . . . . 10.0 115.284 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' HG ' ' B' ' 112' ' ' LEU . 14.7 t70 -103.41 -10.97 18.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.718 0.69 . . . . 10.0 112.59 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 60.5 mtm180 74.25 21.98 2.34 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.599 0.714 . . . . 10.0 109.207 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.79 -161.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.345 -1.298 . . . . 10.0 111.993 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.78 -48.33 41.17 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 11.6 ptp180 -168.63 163.3 8.19 Favored Pre-proline 0 C--N 1.323 -0.545 0 C-N-CA 120.714 -0.394 . . . . 10.0 111.376 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.93 147.38 33.14 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.571 2.181 . . . . 10.0 112.543 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -154.33 167.02 31.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.234 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 5.9 p -157.44 163.39 38.56 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.864 0.364 . . . . 10.0 110.851 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -78.39 155.61 29.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.436 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.416 HG21 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -130.01 149.09 51.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.138 0.494 . . . . 10.0 111.785 -176.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -79.5 27.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.133 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.45 119.7 47.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.98 -16.08 8.46 Favored 'Trans proline' 0 N--CA 1.481 0.746 0 C-N-CA 123.784 2.989 . . . . 10.0 115.087 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -104.18 -22.45 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.134 -0.354 . . . . 10.0 111.277 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -122.44 96.36 5.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 49.8 mtt180 -65.17 -37.27 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.229 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -156.41 163.25 39.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.342 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -154.79 161.69 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.403 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.492 ' HB3' ' HD2' ' A' ' 65' ' ' ARG . 76.5 m-85 -90.65 139.89 30.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.104 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.5 136.76 45.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.772 0.32 . . . . 10.0 110.236 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.3 t70 -88.35 113.86 24.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 10.0 111.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mt -124.99 133.03 24.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.465 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.22 129.72 6.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.567 2.844 . . . . 10.0 114.304 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -102.64 154.25 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.204 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 10.0 111.054 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.234 0.248 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.98 -40.53 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 10.0 111.107 -178.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -41.71 79.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.523 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.585 ' HG ' ' OD2' ' A' ' 61' ' ' ASP . 10.3 tp -67.49 -35.06 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.728 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.02 -41.68 81.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 21.4 mmt180 -67.69 -36.4 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.243 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.74 -33.21 74.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.479 0.657 . . . . 10.0 109.612 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 36.2 tttt -66.5 -39.08 88.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.903 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -69.66 -23.71 63.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.075 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 23.2 mm-40 -78.38 -45.84 21.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.078 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -70.69 -34.53 72.07 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.395 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' B' ' 116' ' ' LYS . 0.0 OUTLIER -61.31 -49.3 77.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.998 179.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.23 -19.92 62.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 10.0 110.199 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -77.13 -52.53 9.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.579 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.65 88.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.194 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 120' ' ' HIS . 3.3 mt-10 -72.4 -23.48 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.692 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 125' ' ' LEU . 12.1 mt -76.69 -38.41 54.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.426 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.3 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.518 178.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 62.2 tttp . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 121.188 0.518 . . . . 10.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.52 -42.76 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.268 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' B' ' 143' ' ' LYS . . . -82.22 -48.67 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.564 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -48.96 61.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -49.92 -12.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.606 1.335 . . . . 10.0 114.606 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' B' ' 140' ' ' ALA . 1.7 pttp -47.9 -19.35 0.23 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.51 54.29 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.678 0.275 . . . . 10.0 110.726 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.36 -38.71 69.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.841 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -40.29 93.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.306 0.574 . . . . 10.0 109.937 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.26 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.878 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -77.85 -11.06 59.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.589 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 27.3 mt -76.61 -10.74 59.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.394 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.4 0 CA-C-O 120.717 0.294 . . . . 10.0 110.854 -179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.454 -0.238 0 CA-C-O 121.561 0.696 . . . . 10.0 110.954 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.07 168.98 10.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.287 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -69.02 -50.36 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.54 -58.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 119.533 -1.318 . . . . 10.0 114.592 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -101.11 -2.04 32.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.466 0.633 . . . . 10.0 112.271 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.5 23.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.596 -0.812 . . . . 10.0 113.803 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.2 tt0 -61.42 -39.96 92.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 10.0 111.446 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -92.64 17.78 9.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.996 0.426 . . . . 10.0 111.113 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -99.86 131.87 45.57 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -128.25 78.27 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.77 14.57 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.673 -0.775 . . . . 10.0 112.745 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -86.34 47.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.187 0.518 . . . . 10.0 111.035 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tt -96.48 113.06 29.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 2.31 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.186 0.517 . . . . 10.0 110.737 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -113.29 149.28 34.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.713 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 34.4 p -98.03 176.28 5.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.92 -30.31 70.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.889 0.376 . . . . 10.0 110.513 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -89.82 24.73 2.28 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.8 -4.09 8.19 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.968 1.147 . . . . 10.0 115.968 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.64 128.92 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.757 0.778 . . . . 10.0 111.772 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.1 136.35 44.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.376 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.7 t -71.17 140.01 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.736 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -76.19 147.97 38.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.729 -1.123 . . . . 10.0 109.974 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.0 132.67 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 10.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -70.29 -53.43 16.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -71.24 -14.61 62.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.0 m -97.32 130.27 44.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.969 0.414 . . . . 10.0 111.62 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.79 110.29 15.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.381 0.61 . . . . 10.0 109.677 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 155.92 42.96 Favored Pre-proline 0 C--N 1.313 -0.997 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.819 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -32.63 -43.78 0.19 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 124.305 3.337 . . . . 10.0 113.414 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -80.65 104.3 11.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 144.09 57.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.204 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.18 142.52 30.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 110.275 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.22 1.82 65.07 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-N 115.485 -0.779 . . . . 10.0 113.323 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.85 64.02 3.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.127 0.489 . . . . 10.0 112.03 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mm -74.03 129.6 84.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.338 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.61 -28.96 68.05 Favored 'Trans proline' 0 N--CA 1.482 0.813 0 C-N-CA 123.669 2.912 . . . . 10.0 113.848 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -10.66 39.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.059 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -87.73 -54.38 4.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.794 -0.184 . . . . 10.0 111.274 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.421 ' CE2' HD13 ' B' ' 112' ' ' LEU . 49.8 m-85 -122.0 84.3 44.87 Favored Pre-proline 0 C--O 1.234 0.283 0 CA-C-O 120.8 0.333 . . . . 10.0 111.039 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.67 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.596 2.198 . . . . 10.0 112.276 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.98 -10.77 59.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.373 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -103.02 2.57 35.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.702 0.287 . . . . 10.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.61 62.1 2.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.793 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.29 91.61 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.89 149.44 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 55.01 -110.16 0.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.873 -1.058 . . . . 10.0 112.609 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -151.27 36.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.595 0.712 . . . . 10.0 109.6 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -79.84 151.55 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.5 t -84.68 127.76 34.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.492 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.62 173.86 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.888 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.515 HD21 ' CG ' ' A' ' 63' ' ' ASP . 10.8 t-20 -119.85 94.94 48.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 121.056 0.455 . . . . 10.0 110.219 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.38 -8.2 1.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.598 2.199 . . . . 10.0 114.103 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.25 -6.74 27.51 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.948 -0.47 . . . . 10.0 112.211 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 68.89 22.83 6.99 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 10.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.515 ' CG ' HD21 ' A' ' 59' ' ' ASN . 4.3 p30 -75.07 -158.13 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.337 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.36 -47.94 80.32 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB2' ' HD2' ' A' ' 66' ' ' PRO . 33.2 ptt180 -170.94 159.4 5.47 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 112.094 0.405 . . . . 10.0 112.094 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 93.7 Cg_exo -45.28 142.79 5.86 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.903 3.069 . . . . 10.0 114.728 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -157.84 168.91 25.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.426 -1.261 . . . . 10.0 108.162 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.0 p -163.19 163.31 25.62 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.643 -0.423 . . . . 10.0 111.552 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -76.82 156.18 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.206 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.14 146.08 50.52 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.676 -0.409 . . . . 10.0 111.042 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -79.34 36.89 0.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 10.0 112.068 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 127.85 26.43 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.65 -13.99 33.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.012 2.475 . . . . 10.0 114.217 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -99.84 -26.6 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.165 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -123.25 106.37 10.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.694 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 10.0 110.547 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.49 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 60.0 p-90 -153.17 163.83 39.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.077 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.65 166.56 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 10.0 111.695 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.38 146.31 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.092 -0.958 . . . . 10.0 111.536 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 3.4 m -117.1 129.51 56.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.738 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.47 117.7 26.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 10.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -121.56 130.08 24.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.211 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -47.63 135.68 21.55 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.273 2.649 . . . . 10.0 113.347 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -98.28 154.55 17.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.142 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.002 -179.839 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.779 0.323 . . . . 10.0 111.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.74 81.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 10.0 110.502 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -52.67 63.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.173 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 47' ' ' PHE . 11.5 tp -62.87 -38.82 92.4 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.369 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.94 -37.15 83.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' B' ' 119' ' ' ARG . 51.3 mt -59.62 -39.14 83.3 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -61.82 -40.91 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.204 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -65.88 -29.3 69.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.555 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.25 -41.26 57.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 115' ' ' LEU . 3.1 mtm105 -66.53 -28.98 68.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.92 -49.76 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.543 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -67.81 -20.37 65.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 36.5 tt0 -77.75 -50.56 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ALA . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -60.16 -46.23 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.829 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.48 -27.56 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.237 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 125' ' ' LEU . 12.1 mt -75.44 -37.82 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 6.9 mm-40 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.323 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 CA--C 1.53 0.19 0 N-CA-C 112.012 0.375 . . . . 10.0 112.012 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.7 -41.02 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.354 -0.216 . . . . 10.0 111.288 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.0 -45.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.758 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -15.71 61.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.662 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -89.14 -39.79 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -43.23 -48.17 6.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 114.991 -1.004 . . . . 10.0 112.268 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.5 60.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.38 -34.59 70.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 10.0 110.745 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.38 -27.82 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.915 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.61 -45.08 17.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.03 -66.15 0.57 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 10.0 111.035 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.88 70.94 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.221 0.534 . . . . 10.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.316 179.774 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.479 1.011 0 CA-C-O 120.813 0.34 . . . . 10.0 110.856 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.4 m -93.99 -164.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 110.059 -0.348 . . . . 10.0 110.059 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.3 mp0 -65.05 -40.99 95.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.899 0.381 . . . . 10.0 110.396 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -121.3 93.39 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.685 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 p -161.97 119.53 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.842 0.353 . . . . 10.0 110.973 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -116.76 60.78 0.74 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.166 0.508 . . . . 10.0 110.422 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -70.71 150.75 45.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.729 -0.669 . . . . 10.0 110.778 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.6 m -109.18 127.36 54.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.28 0.562 . . . . 10.0 111.534 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.558 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.4 mmt -99.93 169.14 9.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.224 -0.898 . . . . 10.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -69.78 -53.55 17.79 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 121.215 -0.194 . . . . 10.0 110.867 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 169.19 -57.92 0.2 Allowed Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 119.115 -1.517 . . . . 10.0 115.038 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.27 -2.79 28.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.816 0.808 . . . . 10.0 112.946 -177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 68.98 2.26 29.91 Favored Glycine 0 CA--C 1.523 0.565 0 C-N-CA 120.618 -0.801 . . . . 10.0 112.915 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 2.5 tm-20 -66.18 -29.67 70.0 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 122.934 0.494 . . . . 10.0 112.285 -178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -111.69 21.08 16.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 10.0 110.806 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -100.57 136.88 39.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.774 -178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -128.72 76.8 1.74 Allowed 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.545 -0.298 . . . . 10.0 110.232 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.23 166.21 26.89 Favored Glycine 0 C--N 1.321 -0.274 0 C-N-CA 120.711 -0.757 . . . . 10.0 112.752 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 66.0 mttt -94.48 53.37 1.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.555 0.693 . . . . 10.0 110.499 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.5 tt -101.76 119.34 49.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 114.826 -1.079 . . . . 10.0 109.789 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.1 p -121.17 14.38 11.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.202 0.525 . . . . 10.0 111.41 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -129.01 157.82 40.63 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.629 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.1 p -100.03 170.46 8.48 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.903 -0.589 . . . . 10.0 109.62 178.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 1.4 ptp -67.01 -24.8 66.06 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.017 0.437 . . . . 10.0 110.403 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.5 m -91.86 25.59 2.72 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 113.238 0.829 . . . . 10.0 113.238 -179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -4.85 6.27 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 116.166 1.226 . . . . 10.0 116.166 179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 mt -77.47 131.66 38.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 117.834 0.817 . . . . 10.0 111.725 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -74.93 135.45 41.43 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.447 -0.797 . . . . 10.0 112.001 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 29.7 t -78.92 138.51 38.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.317 0.58 . . . . 10.0 111.634 178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.452 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 23.0 tt0 -74.36 149.83 40.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.869 -1.059 . . . . 10.0 110.246 178.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.615 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -74.74 138.15 42.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.3 m95 -62.4 -53.63 52.14 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.292 0.849 . . . . 10.0 113.292 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 45.1 p-10 -83.07 4.44 26.23 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.94 0.718 . . . . 10.0 112.94 -178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.615 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 74.4 m -98.01 126.27 43.36 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 121.178 -0.209 . . . . 10.0 110.557 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -81.84 92.23 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.564 0.697 . . . . 10.0 110.685 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.36 158.37 38.96 Favored Pre-proline 0 C--N 1.316 -0.852 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.749 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -38.83 -33.99 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 123.184 2.589 . . . . 10.0 112.136 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.464 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 42.3 m170 -82.87 100.46 10.37 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.693 -0.854 . . . . 10.0 108.693 177.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.25 143.05 57.34 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.87 -0.605 . . . . 10.0 110.766 -179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -135.99 134.85 39.0 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.024 0.44 . . . . 10.0 109.915 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.27 -1.33 75.53 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.759 -0.734 . . . . 10.0 113.275 179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 -88.78 75.01 8.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.488 -0.419 . . . . 10.0 111.089 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.438 HG22 ' H ' ' A' ' 45' ' ' SER . 26.2 mm -73.48 125.73 90.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 116.143 -0.48 . . . . 10.0 111.211 179.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 32.5 Cg_exo -59.38 -25.34 78.15 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 123.256 2.637 . . . . 10.0 113.265 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.459 ' HB3' ' O ' ' B' ' 102' ' ' SER . 1.0 OUTLIER -65.51 -20.27 66.28 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.417 0.627 . . . . 10.0 110.713 179.787 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' HE2' ' HA2' ' B' ' 101' ' ' GLY . 86.1 mttt -103.06 0.24 31.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.259 -0.882 . . . . 10.0 109.949 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -146.89 57.28 3.48 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 115.121 -0.945 . . . . 10.0 110.771 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.33 -15.17 16.06 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.096 1.864 . . . . 10.0 112.23 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -96.57 11.53 34.89 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.122 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 67.5 mmtt -107.68 3.42 24.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.521 -0.309 . . . . 10.0 111.245 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.3 t30 57.67 46.38 17.51 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.357 0.599 . . . . 10.0 111.26 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 mp -79.81 87.99 5.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.058 -0.719 . . . . 10.0 109.058 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -126.81 150.42 49.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.122 0.487 . . . . 10.0 112.176 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt 52.62 -114.38 0.84 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 114.834 -1.075 . . . . 10.0 112.696 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.6 p-10 -148.4 34.76 0.79 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.641 0.734 . . . . 10.0 109.937 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -80.43 148.47 30.52 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.249 -0.887 . . . . 10.0 111.184 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 48.6 t -81.41 121.7 26.57 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 10.0 109.308 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.0 mmt85 -137.14 179.56 6.31 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.847 0.356 . . . . 10.0 110.875 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 40.1 t-20 -117.35 87.77 25.81 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -81.91 -23.04 4.85 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.752 2.302 . . . . 10.0 114.711 -177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.582 ' HB3' ' OD1' ' A' ' 63' ' ' ASP . 3.0 t0 -104.44 2.95 31.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 118.384 0.538 . . . . 10.0 111.915 -177.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 88.9 mtm180 68.78 30.85 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.674 0.75 . . . . 10.0 110.05 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.582 ' OD1' ' HB3' ' A' ' 61' ' ' ASP . 5.7 m-20 -64.9 174.08 2.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.339 -1.3 . . . . 10.0 111.52 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.73 -44.31 48.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.652 -1.158 . . . . 10.0 110.406 178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -150.79 156.28 35.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.13 -0.941 . . . . 10.0 110.063 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.409 ' HG2' HD12 ' A' ' 82' ' ' ILE . 48.1 Cg_exo -56.04 153.43 32.26 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.838 2.359 . . . . 10.0 112.627 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -151.62 163.35 39.26 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 6.0 p -151.58 156.62 40.85 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.917 -0.313 . . . . 10.0 111.192 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -77.54 155.0 31.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.48 -0.563 . . . . 10.0 109.48 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.67 140.38 52.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.816 -0.353 . . . . 10.0 111.56 -177.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.32 32.76 0.45 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.51 . . . . 10.0 111.056 178.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.4 OUTLIER -116.0 118.79 37.93 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 10.0 109.725 -179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -48.67 -19.17 1.91 Allowed 'Trans proline' 0 N--CA 1.479 0.667 0 C-N-CA 124.213 3.275 . . . . 10.0 115.507 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.1 p30 -97.55 -23.66 15.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.0 -0.437 . . . . 10.0 112.17 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -123.92 101.99 7.54 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 111.308 0.114 . . . . 10.0 111.308 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -59.69 -45.58 91.67 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.752 0.311 . . . . 10.0 111.034 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.8 p-90 -159.22 163.68 35.7 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.385 -0.37 . . . . 10.0 110.099 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -150.8 161.54 42.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.075 0.464 . . . . 10.0 111.382 -178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -85.52 158.74 20.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.325 -0.852 . . . . 10.0 110.434 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 19.1 t -120.84 125.6 47.93 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 121.273 -0.171 . . . . 10.0 110.626 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -88.92 115.34 26.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.231 0.539 . . . . 10.0 110.924 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.409 HD12 ' HG2' ' A' ' 66' ' ' PRO . 32.7 mt -122.34 136.21 26.26 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 108.933 -0.766 . . . . 10.0 108.933 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.55 133.54 12.99 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.296 2.664 . . . . 10.0 112.569 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -106.05 155.26 19.58 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.826 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' MET . 49.6 t -78.97 128.54 33.41 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.524 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -110.58 12.84 22.69 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.261 0.553 . . . . 10.0 110.411 179.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.922 0 CA-C-O 118.746 -0.645 . . . . 10.0 110.338 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.473 ' HA2' ' HE2' ' A' ' 46' ' ' LYS . . . . . . . . 0 N--CA 1.478 1.475 0 N-CA-C 112.365 -0.294 . . . . 10.0 112.365 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 45' ' ' SER . 67.6 m -115.99 -44.16 2.94 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.752 0.278 . . . . 10.0 111.752 -179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 12.8 m -120.57 -8.18 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.939 0.4 . . . . 10.0 111.614 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.12 142.37 47.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.147 -0.478 . . . . 10.0 110.632 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -108.93 31.5 5.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.342 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 45.3 mt -72.14 138.67 47.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.509 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.439 HG22 ' HB3' ' B' ' 110' ' ' ALA . 1.7 m 60.66 33.72 20.22 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.456 0.646 . . . . 10.0 111.077 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -69.07 -43.14 75.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.778 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.64 -45.89 73.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.037 -0.528 . . . . 10.0 112.143 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' B' ' 107' ' ' THR . . . -66.47 -42.04 88.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.876 0.37 . . . . 10.0 111.047 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 26.0 tt0 -65.94 -38.72 89.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 109.831 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -64.92 -43.5 92.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.006 179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -60.3 -42.98 96.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.766 -0.652 . . . . 10.0 110.203 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.463 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 14.2 mmt180 -66.56 -36.88 83.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 10.0 110.436 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 85.7 mt -63.41 -33.24 75.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.284 178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.9 tttp -63.19 -41.57 99.2 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -67.3 -29.95 69.68 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.344 -0.844 . . . . 10.0 109.809 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -71.57 -42.37 67.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.46 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -65.68 -37.36 86.27 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.029 178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.03 -46.31 85.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.439 -0.801 . . . . 10.0 110.068 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.68 -24.99 62.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.098 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -83.12 -51.7 7.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.678 0.275 . . . . 10.0 111.418 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.58 84.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.985 0.421 . . . . 10.0 111.164 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -77.55 -22.19 51.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.416 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 mt -75.06 -33.83 61.75 Favored 'General case' 0 CA--C 1.52 -0.192 0 N-CA-C 108.001 -1.111 . . . . 10.0 108.001 177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -58.49 -31.54 67.96 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.974 -1.012 . . . . 10.0 110.341 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.659 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 2.6 ttt180 -61.28 -50.58 72.42 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.03 -1.1 . . . . 10.0 108.03 178.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.09 -38.04 87.34 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.272 -0.877 . . . . 10.0 110.278 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -55.68 -50.04 71.34 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.132 -0.485 . . . . 10.0 109.952 178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 1.6 m -61.41 -42.06 98.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.646 -0.706 . . . . 10.0 109.837 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.659 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 73.0 mt-10 -62.72 -22.77 66.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.998 179.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.64 81.78 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.69 41.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.64 -0.709 . . . . 10.0 110.73 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -134.83 111.74 10.14 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' B' ' 139' ' ' GLU . 45.6 m-70 -77.55 -29.19 52.12 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.11 -0.496 . . . . 10.0 111.586 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -55.64 -47.7 76.18 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.295 0.569 . . . . 10.0 109.944 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.462 ' HG3' ' CB ' ' B' ' 143' ' ' LYS . 24.3 tttm -60.54 -54.2 48.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.433 -0.803 . . . . 10.0 109.917 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . 0.573 ' HG3' ' CD ' ' B' ' 131' ' ' GLU . 10.9 tttp -47.83 -65.09 0.62 Allowed 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 115.644 1.72 . . . . 10.0 115.644 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' B' ' 135' ' ' HIS . 11.1 pt-20 -98.73 -17.49 18.5 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 117.528 2.418 . . . . 10.0 117.528 -172.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -87.49 -72.85 0.5 Allowed 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 120.501 3.519 . . . . 10.0 120.501 -170.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -108.29 -81.8 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 120.551 3.537 . . . . 10.0 120.551 -173.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -102.54 -56.89 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 119.22 3.044 . . . . 10.0 119.22 -173.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.462 ' CB ' ' HG3' ' B' ' 137' ' ' LYS . 8.2 mmtt -34.86 -48.71 0.41 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 116.462 2.023 . . . . 10.0 116.462 -171.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.12 -59.55 4.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 118.962 0.801 . . . . 10.0 110.92 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 5.7 mp -50.06 -43.89 51.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.272 -0.876 . . . . 10.0 112.113 178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -68.19 -60.62 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 10.0 111.78 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -50.18 -52.35 36.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.728 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -63.12 -62.82 1.45 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.121 -0.49 . . . . 10.0 111.313 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp 58.47 -114.84 0.78 Allowed 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.532 0.52 . . . . 10.0 110.197 -179.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -153.88 133.03 12.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.643 0.258 . . . . 10.0 110.81 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.7 -53.67 2.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.438 0.637 . . . . 10.0 109.635 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.537 -0.756 . . . . 10.0 109.857 179.342 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 44.4 t80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.556 0.217 . . . . 10.0 111.243 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.9 m -118.71 47.12 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.887 0.375 . . . . 10.0 111.317 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.2 145.91 33.38 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.043 0.449 . . . . 10.0 110.69 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -102.91 118.79 37.6 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.299 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -103.6 91.4 4.01 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.519 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -122.49 101.65 7.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.664 -0.698 . . . . 10.0 110.194 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.24 177.11 6.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.666 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 59.5 m -108.0 127.91 54.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.151 0.5 . . . . 10.0 111.012 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 21.3 mmt -94.2 169.34 10.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.662 -0.699 . . . . 10.0 110.53 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -64.57 -53.33 49.45 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.583 -0.281 . . . . 10.0 110.832 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.436 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 155.56 -52.18 0.44 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 119.406 -1.378 . . . . 10.0 114.376 179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.81 -3.75 29.29 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.668 0.618 . . . . 10.0 112.668 -178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.65 -14.42 18.35 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.541 -0.838 . . . . 10.0 113.013 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.51 -32.91 70.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.921 0.391 . . . . 10.0 110.95 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -102.87 18.33 21.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.956 0.408 . . . . 10.0 110.96 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -90.6 123.72 34.46 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.345 -0.388 . . . . 10.0 110.375 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -126.27 76.61 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.222 -0.658 . . . . 10.0 109.222 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.44 161.9 13.51 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.67 -0.776 . . . . 10.0 113.313 -178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -86.68 48.75 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.087 0.47 . . . . 10.0 111.771 -179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 tt -97.1 116.36 39.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-O 121.119 0.485 . . . . 10.0 110.012 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 p -107.54 8.16 29.14 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.206 0.447 . . . . 10.0 112.206 -178.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -129.25 161.04 31.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.869 0.366 . . . . 10.0 110.498 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.411 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 0.0 OUTLIER -101.51 -167.25 1.39 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.789 -0.448 . . . . 10.0 109.789 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 4.7 ppp? -74.17 -27.82 61.01 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.43 0.53 . . . . 10.0 112.43 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.28 26.61 3.69 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 113.151 0.797 . . . . 10.0 113.151 -179.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.64 -5.3 5.92 Favored Glycine 0 C--N 1.337 0.619 0 N-CA-C 116.47 1.348 . . . . 10.0 116.47 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.1 mt -67.39 136.12 54.25 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 118.449 1.124 . . . . 10.0 112.183 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -75.62 128.8 36.03 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.698 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.1 t -75.42 136.42 40.73 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.659 0.742 . . . . 10.0 112.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -76.31 138.26 40.39 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.73 -1.123 . . . . 10.0 110.002 178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.457 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.28 135.78 55.79 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.626 0.25 . . . . 10.0 110.337 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 93.1 m95 -61.69 -52.33 64.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.567 . . . . 10.0 112.321 -178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -78.36 3.22 16.23 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.457 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 11.7 t -98.93 135.07 40.88 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.92 0.391 . . . . 10.0 111.26 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -91.41 90.13 7.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.462 0.648 . . . . 10.0 110.036 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.84 157.97 35.03 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.069 -0.968 . . . . 10.0 109.11 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -35.48 -35.31 0.13 Allowed 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 123.589 2.859 . . . . 10.0 113.126 178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.459 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 57.0 m170 -83.98 102.73 12.67 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.776 -0.824 . . . . 10.0 108.776 177.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.85 152.47 45.51 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.257 -178.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -149.98 145.73 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.497 0.665 . . . . 10.0 111.633 -178.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.21 -4.06 58.63 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 115.145 -0.934 . . . . 10.0 113.01 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -87.54 63.32 7.56 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.287 0.565 . . . . 10.0 110.826 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.514 HG22 ' H ' ' A' ' 45' ' ' SER . 30.8 mm -72.57 125.92 91.06 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.258 -0.883 . . . . 10.0 111.256 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.452 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 52.9 Cg_exo -57.44 -23.86 57.89 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.387 2.724 . . . . 10.0 113.384 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.514 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.5 m -68.34 -12.68 61.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.305 -0.407 . . . . 10.0 111.341 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -87.7 -52.55 5.26 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.649 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -120.52 81.56 31.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.484 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.41 -4.02 13.39 Favored 'Trans proline' 0 N--CA 1.464 -0.232 0 C-N-CA 122.411 2.074 . . . . 10.0 112.07 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.9 p-10 -84.16 5.87 24.68 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.197 -179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.5 mmtt -111.19 5.97 20.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.379 -0.373 . . . . 10.0 110.639 179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.6 t30 57.15 51.52 10.21 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.782 -0.645 . . . . 10.0 111.216 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.9 mp -80.59 73.65 7.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.233 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -113.84 155.87 24.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.24 -0.437 . . . . 10.0 111.621 -178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 54.53 -113.58 0.8 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.08 -0.963 . . . . 10.0 112.21 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -151.94 34.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.572 0.701 . . . . 10.0 110.379 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -79.39 157.68 27.55 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.473 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.9 t -87.37 128.49 35.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.062 -0.517 . . . . 10.0 109.871 -179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.02 169.84 22.54 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.146 -0.316 . . . . 10.0 110.146 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -110.06 99.37 39.04 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.331 -0.395 . . . . 10.0 109.992 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 92.0 Cg_endo -91.91 -15.55 1.3 Allowed 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.55 2.167 . . . . 10.0 114.187 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.542 ' HA ' HD21 ' B' ' 112' ' ' LEU . 14.2 t70 -95.76 -12.65 25.04 Favored 'General case' 0 C--N 1.329 -0.29 0 O-C-N 122.163 -0.335 . . . . 10.0 111.814 -177.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 15.0 mtm180 73.36 24.79 2.29 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.896 0.855 . . . . 10.0 108.952 -177.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -78.03 -165.61 0.68 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.495 -1.229 . . . . 10.0 111.963 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.1 mp -54.39 -47.57 72.56 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.247 1.203 . . . . 10.0 114.247 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.41 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 34.3 ptt180 -161.8 152.78 15.11 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.501 -0.479 . . . . 10.0 112.099 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -50.05 146.6 16.91 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 123.142 2.561 . . . . 10.0 112.732 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.545 ' HB3' ' CD2' ' A' ' 79' ' ' TYR . 42.0 p-90 -154.12 171.72 18.69 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.356 -0.838 . . . . 10.0 109.543 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.521 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 0.8 OUTLIER -158.53 160.87 37.15 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.73 179.236 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.18 155.92 31.92 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.566 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.16 140.73 52.72 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.017 0.437 . . . . 10.0 111.407 -177.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.16 37.8 0.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.938 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -116.4 118.19 37.7 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.54 -11.46 2.1 Favored 'Trans proline' 0 N--CA 1.478 0.589 0 C-N-CA 123.513 2.809 . . . . 10.0 115.022 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -101.16 -26.72 13.57 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.997 -0.439 . . . . 10.0 111.199 179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 tptp -122.77 108.89 13.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.303 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 57.8 mtt180 -67.0 -40.44 87.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.544 -0.298 . . . . 10.0 111.733 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -153.65 161.62 41.99 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 110.072 -0.344 . . . . 10.0 110.072 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -150.85 155.12 38.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.998 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.545 ' CD2' ' HB3' ' A' ' 67' ' ' TRP . 85.9 m-85 -95.89 147.5 23.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.68 -0.691 . . . . 10.0 110.285 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 2.7 t -113.44 145.11 41.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -88.37 126.24 35.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.779 0.323 . . . . 10.0 111.395 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.0 mp -122.58 129.78 24.91 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 108.888 -0.782 . . . . 10.0 108.888 178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -47.86 131.98 21.33 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 123.216 2.61 . . . . 10.0 112.435 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -96.41 150.93 20.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.014 0.435 . . . . 10.0 110.894 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.436 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 14.1 t -90.93 134.2 34.66 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.877 -0.602 . . . . 10.0 109.389 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.06 52.08 2.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.903 0.382 . . . . 10.0 110.764 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.43 -0.795 . . . . 10.0 110.11 -179.78 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.424 ' HA3' ' HG2' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.727 0 N-CA-C 111.9 -0.48 . . . . 10.0 111.9 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 6.6 m -92.14 -58.99 2.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.612 0.244 . . . . 10.0 111.372 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.8 m -120.88 43.36 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.091 0.472 . . . . 10.0 111.564 -178.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.424 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 11.6 pt-20 -120.26 159.79 24.26 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.554 -0.294 . . . . 10.0 110.315 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -131.95 27.57 4.56 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.285 0.564 . . . . 10.0 110.13 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 24.8 tp -74.2 153.05 39.64 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.408 -0.815 . . . . 10.0 110.168 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.837 HG22 ' HB3' ' B' ' 110' ' ' ALA . 0.2 OUTLIER 65.47 37.49 6.1 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.004 0.43 . . . . 10.0 110.044 179.722 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -54.51 -61.3 2.39 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.64 0.978 . . . . 10.0 113.64 -177.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -57.84 -44.65 86.62 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.837 ' HB3' HG22 ' B' ' 107' ' ' THR . . . -65.37 -38.7 90.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.983 0.42 . . . . 10.0 110.657 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.1 tt0 -67.99 -37.32 81.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.535 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 61' ' ' ASP . 28.0 tp -65.0 -42.73 94.21 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.851 -0.613 . . . . 10.0 109.64 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -59.77 -41.89 92.08 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.74 -0.664 . . . . 10.0 110.041 178.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -70.21 -33.6 71.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.522 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 74.0 mt -58.46 -38.39 77.44 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.674 -0.491 . . . . 10.0 109.674 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -66.84 -39.03 87.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.582 -0.736 . . . . 10.0 109.111 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.03 -32.01 71.63 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.439 -0.8 . . . . 10.0 110.111 178.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -80.51 -43.32 20.96 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.514 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 12.2 ttp85 -69.38 -36.0 76.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.45 -0.341 . . . . 10.0 111.792 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -43.07 81.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.605 -0.438 . . . . 10.0 109.881 179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' B' ' 125' ' ' LEU . 18.1 mm-40 -66.73 -24.01 66.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.162 0.506 . . . . 10.0 109.932 179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -76.32 -47.21 24.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.509 -0.769 . . . . 10.0 109.718 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.8 -41.51 91.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.662 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -71.39 -30.78 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.841 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' B' ' 121' ' ' GLU . 16.4 mt -67.06 -38.3 85.55 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.463 -0.569 . . . . 10.0 109.463 178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -55.23 -33.88 63.5 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 115.633 -0.712 . . . . 10.0 110.872 178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 -66.93 -42.46 85.31 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 109.173 -0.677 . . . . 10.0 109.173 178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.46 -39.25 93.46 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.135 -0.691 . . . . 10.0 109.135 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -58.68 -37.94 77.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.953 177.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -63.0 -41.62 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.284 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -62.1 -35.7 79.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.457 177.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -70.67 -39.72 73.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.079 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.43 -53.39 58.7 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.655 -0.702 . . . . 10.0 110.441 178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -120.57 99.98 6.86 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -61.92 -25.88 67.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.949 -178.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -59.09 -44.44 91.92 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.977 -0.749 . . . . 10.0 108.977 178.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.2 ttmm -63.46 -46.35 86.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.42 -0.809 . . . . 10.0 110.084 178.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -54.82 -29.78 55.61 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 113.025 0.75 . . . . 10.0 113.025 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -65.83 -19.47 65.89 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.098 -0.376 . . . . 10.0 111.852 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.58 -29.24 69.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.802 0.334 . . . . 10.0 110.787 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -59.12 -15.79 16.2 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.118 0.414 . . . . 10.0 112.118 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -62.59 -12.59 23.88 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 121.076 0.465 . . . . 10.0 111.214 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 7.3 mtmp? -69.74 -18.16 63.5 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.859 -0.793 . . . . 10.0 108.859 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.81 -20.05 64.3 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.47 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.1 mp -69.81 -39.22 76.65 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.242 -0.651 . . . . 10.0 109.242 179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -75.32 -25.82 58.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 115.695 -0.684 . . . . 10.0 109.97 179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -78.75 -32.02 46.46 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.669 -0.696 . . . . 10.0 109.79 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 40.3 tttp -78.87 -46.59 18.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.149 -0.932 . . . . 10.0 111.98 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.6 146.15 40.6 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.975 0.417 . . . . 10.0 110.461 -179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -136.28 169.46 17.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.817 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.83 123.29 22.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.467 179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 3.4 t80 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.476 -0.773 . . . . 10.0 110.25 -179.442 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.697 0.284 . . . . 10.0 110.704 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.61 76.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.246 0.546 . . . . 10.0 110.34 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -100.83 -27.19 13.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.595 -0.73 . . . . 10.0 111.429 -179.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -85.76 91.3 8.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.069 0.461 . . . . 10.0 110.465 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.96 120.45 40.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.706 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -143.96 34.52 1.24 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.799 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -100.7 155.53 17.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 10.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 87.4 m -107.48 127.85 53.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.269 0.557 . . . . 10.0 110.345 179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.445 ' HG3' HG22 ' A' ' 82' ' ' ILE . 12.2 mmt -98.11 168.5 10.22 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.152 -0.931 . . . . 10.0 111.313 -179.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -56.41 -46.4 80.2 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-N 116.09 -0.504 . . . . 10.0 110.518 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.42 -44.55 0.83 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.182 -1.009 . . . . 10.0 113.008 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.06 -3.08 32.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.98 0.39 . . . . 10.0 111.744 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.71 -20.18 3.71 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.835 -0.697 . . . . 10.0 114.198 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -58.48 -43.42 88.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 117.017 0.408 . . . . 10.0 111.637 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -86.95 16.65 4.72 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 10.0 111.568 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -101.58 133.06 46.85 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -121.12 82.31 1.91 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.633 -0.877 . . . . 10.0 108.633 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.32 158.72 15.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.608 -0.806 . . . . 10.0 113.284 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -93.67 47.43 1.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.28 0.562 . . . . 10.0 110.312 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 10.0 tt -102.33 120.1 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.409 -0.814 . . . . 10.0 110.645 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.24 22.75 12.29 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.242 0.544 . . . . 10.0 110.778 -179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -124.56 152.25 43.73 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.07 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.2 p -100.4 -175.65 2.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.617 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 7.6 ptp -70.45 -31.27 68.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.888 0.375 . . . . 10.0 111.484 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.9 m -93.94 26.99 2.94 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.878 1.066 . . . . 10.0 113.878 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 68.97 -2.19 8.97 Favored Glycine 0 C--N 1.335 0.502 0 C-N-CA 120.002 -1.094 . . . . 10.0 115.786 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.6 mt -70.42 130.85 43.01 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 117.583 0.692 . . . . 10.0 111.436 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -75.5 128.73 35.96 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.336 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 44.2 t -71.98 138.35 47.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.507 0.67 . . . . 10.0 112.713 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' HG2' ' N ' ' A' ' 31' ' ' ALA . 3.0 tt0 -82.08 142.16 32.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.811 -1.086 . . . . 10.0 110.231 178.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.448 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -68.33 136.69 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.622 0.248 . . . . 10.0 111.41 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -60.36 -52.67 64.26 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.124 -0.489 . . . . 10.0 112.266 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -78.49 2.77 17.92 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.979 0.733 . . . . 10.0 112.979 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.448 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 9.4 t -98.35 126.57 43.91 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.121 0.486 . . . . 10.0 111.002 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -82.79 94.97 7.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.732 -0.667 . . . . 10.0 110.199 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 p -95.81 156.89 36.78 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.786 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -36.09 -42.44 0.6 Allowed 'Trans proline' 0 C--N 1.356 0.924 0 C-N-CA 123.874 3.049 . . . . 10.0 112.541 178.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -78.99 116.73 19.48 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.061 -0.718 . . . . 10.0 109.061 178.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.02 147.08 50.53 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.601 -0.272 . . . . 10.0 110.637 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -144.6 134.25 23.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.199 0.523 . . . . 10.0 110.066 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.51 -0.53 82.01 Favored Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.556 -0.747 . . . . 10.0 113.762 -179.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -88.25 68.34 8.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 117.322 0.561 . . . . 10.0 111.34 -178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.566 HG22 ' H ' ' A' ' 45' ' ' SER . 41.5 mm -71.97 124.85 91.46 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.514 179.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.537 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 55.6 Cg_endo -68.5 -13.34 37.18 Favored 'Trans proline' 0 N--CA 1.474 0.374 0 C-N-CA 123.237 2.625 . . . . 10.0 113.269 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.566 ' H ' HG22 ' A' ' 43' ' ' ILE . 4.4 m -75.6 -11.62 60.05 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.639 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' A' ' 48' ' ' PRO . 69.3 mmtt -90.84 -47.2 7.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.216 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -117.49 82.61 15.66 Favored Pre-proline 0 CA--C 1.531 0.231 0 CA-C-O 120.538 0.209 . . . . 10.0 111.35 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' LYS . 3.1 Cg_exo -80.22 -6.63 13.93 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.812 2.342 . . . . 10.0 112.453 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -84.89 6.51 24.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.466 . . . . 10.0 112.101 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -115.54 8.69 15.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.711 0.291 . . . . 10.0 111.117 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 66.2 t30 53.78 53.55 11.19 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.418 -0.81 . . . . 10.0 111.847 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.1 mp -80.87 78.36 7.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.716 -0.674 . . . . 10.0 109.871 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -123.13 160.89 25.51 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.928 0.394 . . . . 10.0 111.982 -178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt 56.27 -119.53 1.34 Allowed 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.004 -0.998 . . . . 10.0 112.33 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.6 p-10 -148.88 34.09 0.76 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.548 0.69 . . . . 10.0 109.994 -178.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -82.85 155.07 24.34 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.491 -0.777 . . . . 10.0 111.394 -179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 39.6 t -80.86 120.23 24.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.513 -0.767 . . . . 10.0 109.741 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.4 mmt85 -135.43 -179.66 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.699 0.285 . . . . 10.0 110.767 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.413 HD21 ' CG ' ' A' ' 63' ' ' ASP . 11.2 t-20 -142.07 85.82 10.71 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 10.0 109.999 178.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -84.64 0.07 9.16 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.117 1.878 . . . . 10.0 114.818 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.494 ' OD1' ' HD3' ' B' ' 116' ' ' LYS . 10.0 t70 -107.64 -11.16 15.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 119.0 0.818 . . . . 10.0 112.284 -179.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.487 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 82.1 mtm180 72.06 26.02 2.91 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 122.984 0.513 . . . . 10.0 111.718 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.413 ' CG ' HD21 ' A' ' 59' ' ' ASN . 3.5 p30 -71.24 -162.54 0.07 Allowed 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.22 -0.446 . . . . 10.0 111.795 179.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.7 mp -52.19 -49.23 64.27 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.371 0.878 . . . . 10.0 113.371 -177.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 33.1 ptt180 -169.01 155.01 6.33 Favored Pre-proline 0 N--CA 1.465 0.298 0 N-CA-C 111.823 0.305 . . . . 10.0 111.823 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HA ' HD22 ' A' ' 59' ' ' ASN . 89.2 Cg_exo -47.13 144.89 8.3 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 123.676 2.917 . . . . 10.0 114.101 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.458 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 61.7 p-90 -161.81 170.1 20.15 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.36 -1.291 . . . . 10.0 108.218 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 5.9 p -162.61 168.58 21.53 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 120.821 0.344 . . . . 10.0 110.586 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -76.96 155.02 33.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.899 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -124.95 144.65 50.25 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.97 0.414 . . . . 10.0 111.569 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.7 p -78.31 27.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.638 -0.71 . . . . 10.0 111.807 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.64 119.36 52.84 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 109.431 -0.581 . . . . 10.0 109.431 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.66 -17.81 30.44 Favored 'Trans proline' 0 N--CA 1.476 0.483 0 C-N-CA 123.171 2.58 . . . . 10.0 113.483 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -97.98 -21.54 16.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.708 -0.224 . . . . 10.0 111.465 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -124.67 103.94 8.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.719 -0.219 . . . . 10.0 111.022 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.411 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 39.6 mtt180 -57.13 -43.34 82.32 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.953 0.406 . . . . 10.0 111.137 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 47.2 p-90 -156.03 163.17 40.02 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.223 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -148.44 154.62 40.13 Favored 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.523 0.514 . . . . 10.0 110.693 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -84.46 158.32 21.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.054 -0.521 . . . . 10.0 111.493 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.7 t -125.34 130.14 51.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.91 -0.586 . . . . 10.0 109.48 178.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -88.63 116.3 26.78 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.847 0.356 . . . . 10.0 111.017 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.445 HG22 ' HG3' ' A' ' 9' ' ' MET . 37.9 mt -117.96 135.25 23.34 Favored Pre-proline 0 C--N 1.323 -0.587 0 N-CA-C 109.543 -0.539 . . . . 10.0 109.543 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -50.24 132.35 33.66 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 123.179 2.586 . . . . 10.0 113.251 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -102.91 153.46 20.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 5.3 t -127.75 123.52 35.55 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.052 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -65.04 -43.03 93.69 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.389 -0.369 . . . . 10.0 111.34 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.666 -0.683 . . . . 10.0 110.108 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.807 0 N-CA-C 112.194 -0.362 . . . . 10.0 112.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -59.82 2.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.009 0.433 . . . . 10.0 110.967 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.87 -27.05 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.606 0.717 . . . . 10.0 109.65 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.452 ' H ' ' CD ' ' B' ' 104' ' ' GLU . 0.7 OUTLIER -98.22 -174.08 2.75 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.991 -1.004 . . . . 10.0 110.216 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -108.08 29.19 7.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.287 0.565 . . . . 10.0 110.343 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 39.4 tp -69.75 148.35 49.31 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.723 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.706 HG22 ' HB3' ' B' ' 110' ' ' ALA . 1.8 m 66.67 34.94 5.49 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.385 0.612 . . . . 10.0 109.415 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.27 -60.51 3.52 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.208 -0.905 . . . . 10.0 112.968 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.26 -46.25 76.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.086 0.402 . . . . 10.0 112.086 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.706 ' HB3' HG22 ' B' ' 107' ' ' THR . . . -66.84 -36.98 83.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.691 0.282 . . . . 10.0 110.777 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 3.3 tp10 -60.48 -48.16 82.96 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.548 -0.538 . . . . 10.0 109.548 178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.49 -39.1 92.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.37 -0.832 . . . . 10.0 110.908 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -61.5 -42.48 98.87 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.015 0.436 . . . . 10.0 110.155 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 27.5 mmt180 -66.81 -37.92 85.49 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.517 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 93.5 mt -57.28 -38.75 74.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.971 0.415 . . . . 10.0 110.337 178.365 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . 0.494 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 20.2 mtmt -68.4 -36.94 79.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.072 -0.513 . . . . 10.0 109.812 178.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -61.75 -31.44 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.404 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.473 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 15.5 mm-40 -84.59 -28.7 26.37 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.17 0.509 . . . . 10.0 109.835 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 20.4 mtp85 -73.56 -34.18 65.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 10.0 111.425 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.74 81.02 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.578 -0.897 . . . . 10.0 108.578 178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' B' ' 125' ' ' LEU . 18.3 mm-40 -70.96 -22.67 62.17 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 115.457 -0.792 . . . . 10.0 109.876 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.411 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 23.8 tt0 -78.59 -51.58 9.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.62 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.79 92.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.714 -0.675 . . . . 10.0 111.342 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.72 -28.22 61.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.188 -0.46 . . . . 10.0 111.015 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.455 ' HB2' ' O ' ' B' ' 121' ' ' GLU . 2.4 mt -72.11 -36.93 69.59 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.348 -0.612 . . . . 10.0 109.348 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -55.37 -33.57 63.56 Favored 'General case' 0 C--N 1.334 -0.105 0 CA-C-N 115.498 -0.774 . . . . 10.0 110.399 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.32 -46.59 89.34 Favored 'General case' 0 C--O 1.232 0.177 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.17 -37.57 87.74 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 115.767 -0.651 . . . . 10.0 109.817 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -59.81 -40.14 87.39 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.204 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.7 m -65.23 -45.4 84.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.999 -0.546 . . . . 10.0 109.84 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.06 -22.35 66.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.802 -0.635 . . . . 10.0 111.583 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -62.75 -40.32 96.88 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.128 0.49 . . . . 10.0 110.034 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -57.3 -57.68 11.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.326 -0.852 . . . . 10.0 110.911 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.94 107.57 18.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.858 0.361 . . . . 10.0 110.931 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -61.33 -31.43 71.29 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.801 -0.636 . . . . 10.0 111.608 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -62.75 -28.24 69.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.102 0.477 . . . . 10.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.4 ttmm -84.99 -30.84 23.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.224 0.535 . . . . 10.0 110.233 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.97 -15.93 61.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.201 -0.909 . . . . 10.0 112.087 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.08 -48.36 76.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 10.0 111.088 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -54.79 -30.94 58.25 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.717 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -89.19 -27.76 20.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 10.0 111.04 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -46.75 -36.27 7.06 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.231 -0.895 . . . . 10.0 111.834 178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -51.8 -14.33 0.35 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.617 0.599 . . . . 10.0 112.617 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.84 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' B' ' 149' ' ' LEU . 9.1 mp -55.41 -44.14 75.93 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 115.451 -0.795 . . . . 10.0 110.064 178.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -67.74 -51.88 44.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.489 -0.778 . . . . 10.0 109.893 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -50.83 -45.73 59.69 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.269 -0.878 . . . . 10.0 111.525 178.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -73.24 -39.13 65.7 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.25 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' B' ' 145' ' ' LEU . 20.1 tp -59.23 96.3 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.697 -0.683 . . . . 10.0 111.552 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -163.88 99.67 0.88 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.158 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -75.32 153.01 38.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.886 0.374 . . . . 10.0 110.664 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.526 -0.75 . . . . 10.0 110.404 -178.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -127.15 106.83 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.189 0.519 . . . . 10.0 110.047 179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -92.8 17.45 10.45 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.818 -0.628 . . . . 10.0 110.835 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -99.21 83.8 2.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.568 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.01 72.17 1.34 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.366 0.603 . . . . 10.0 111.061 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -110.54 110.68 21.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.216 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -101.33 168.8 9.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.599 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.8 m -116.8 126.61 53.33 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.878 0.371 . . . . 10.0 110.116 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.8 mmt -93.64 166.16 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.39 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.8 t60 -61.25 -60.16 4.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.77 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 158.05 -52.47 0.4 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.126 -1.035 . . . . 10.0 114.037 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t -100.62 -2.78 31.88 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 117.631 0.715 . . . . 10.0 112.387 -178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 78.87 -22.1 3.63 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 120.342 -0.932 . . . . 10.0 113.834 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.428 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.4 tt0 -58.45 -34.4 70.81 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.948 0.374 . . . . 10.0 111.648 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -92.41 16.14 12.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 10.0 111.459 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -99.34 125.29 44.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -121.31 41.03 3.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.004 0.431 . . . . 10.0 110.252 -179.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.04 160.45 52.49 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.835 -0.698 . . . . 10.0 113.27 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -87.65 53.95 2.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.193 0.521 . . . . 10.0 110.712 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 9.3 tt -102.2 116.46 45.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.006 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 p -119.61 5.75 11.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 10.0 111.095 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -111.7 149.58 31.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 35.4 p -101.49 169.59 8.76 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.506 -0.553 . . . . 10.0 109.506 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 2.5 ppp? -61.14 -33.26 73.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.811 0.339 . . . . 10.0 111.34 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.06 24.48 2.81 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 113.26 0.837 . . . . 10.0 113.26 -179.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.53 -3.14 9.02 Favored Glycine 0 CA--C 1.521 0.43 0 N-CA-C 115.543 0.977 . . . . 10.0 115.543 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.08 128.77 37.45 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 117.609 0.705 . . . . 10.0 111.626 -178.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -75.92 130.78 39.02 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.626 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 2.8 t -81.7 125.78 31.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.3 -0.409 . . . . 10.0 111.239 179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.8 142.98 40.1 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.838 -0.619 . . . . 10.0 110.437 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.739 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -60.4 137.19 58.18 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.173 0.434 . . . . 10.0 112.173 -178.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 83.2 m95 -63.13 -52.31 63.04 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.599 -0.728 . . . . 10.0 111.804 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -69.71 -9.8 55.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.871 0.693 . . . . 10.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.739 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -90.8 136.68 32.91 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.875 0.369 . . . . 10.0 111.884 -178.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -83.36 82.7 8.17 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.733 -0.84 . . . . 10.0 108.733 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.5 m -91.54 155.58 43.83 Favored Pre-proline 0 C--N 1.317 -0.818 0 CA-C-N 115.037 -0.983 . . . . 10.0 110.757 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_exo -31.88 -45.13 0.19 Allowed 'Trans proline' 0 C--N 1.358 1.052 0 C-N-CA 124.362 3.375 . . . . 10.0 113.601 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.486 ' HE1' ' O ' ' A' ' 72' ' ' ASP . 34.1 m170 -86.43 112.31 21.37 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.903 -0.777 . . . . 10.0 108.903 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.42 147.57 39.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.594 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -144.62 143.2 30.65 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 121.293 0.568 . . . . 10.0 110.192 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -89.39 1.33 81.98 Favored Glycine 0 N--CA 1.452 -0.239 0 CA-C-N 115.282 -0.872 . . . . 10.0 113.128 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -92.98 62.68 3.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.194 0.521 . . . . 10.0 111.642 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG22 ' H ' ' A' ' 45' ' ' SER . 45.5 mm -73.53 126.41 89.89 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.706 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 43' ' ' ILE . 50.4 Cg_exo -54.61 -22.43 28.42 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.653 2.902 . . . . 10.0 114.075 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.535 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.3 m -68.77 -16.31 63.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.838 0.352 . . . . 10.0 111.321 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.63 -51.78 7.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.952 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -120.21 79.54 27.19 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.714 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -75.74 -8.35 19.14 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.354 2.036 . . . . 10.0 112.28 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -85.25 -1.39 56.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.913 -0.585 . . . . 10.0 111.343 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 69.1 mmtt -100.23 4.73 44.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.726 0.298 . . . . 10.0 110.688 179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.8 t30 58.92 53.82 5.45 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.65 -0.704 . . . . 10.0 112.578 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mp -80.88 97.43 7.4 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.04 151.95 48.54 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 112.645 0.609 . . . . 10.0 112.645 -177.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt 48.04 -112.13 0.45 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 114.592 -1.186 . . . . 10.0 112.942 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -143.78 32.15 1.28 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.501 0.667 . . . . 10.0 110.052 -178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -83.28 157.18 22.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.583 -0.735 . . . . 10.0 111.49 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.8 t -87.8 125.22 34.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.396 -179.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -140.89 177.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.84 -0.43 . . . . 10.0 109.84 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 47.3 t-20 -120.77 99.32 47.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 N-CA-C 109.008 -0.738 . . . . 10.0 109.008 178.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -89.52 -14.7 2.46 Favored 'Trans proline' 0 N--CA 1.453 -0.855 0 C-N-CA 122.477 2.118 . . . . 10.0 114.946 -178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 62' ' ' ARG . 6.4 t70 -108.52 -13.06 14.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 118.595 0.634 . . . . 10.0 112.438 -178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.482 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 20.2 mtm105 73.13 28.0 1.93 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.433 0.635 . . . . 10.0 110.038 -178.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -72.05 -163.65 0.11 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.479 -0.782 . . . . 10.0 110.818 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 mp -48.39 -47.35 37.6 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.404 ' O ' ' HD1' ' A' ' 67' ' ' TRP . 13.8 ptt180 -167.34 157.3 9.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 C-N-CA 121.099 -0.24 . . . . 10.0 111.266 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HG3' ' HB2' ' A' ' 59' ' ' ASN . 71.6 Cg_exo -51.19 150.71 13.76 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 123.199 2.599 . . . . 10.0 113.335 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.404 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 16.2 p-90 -154.24 169.61 23.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.476 -179.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.626 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.2 p -153.49 153.1 31.8 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.877 -0.601 . . . . 10.0 110.82 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -75.51 155.2 36.36 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.594 -0.891 . . . . 10.0 108.594 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.21 144.81 50.96 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 120.478 -0.489 . . . . 10.0 111.472 -176.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.44 31.88 0.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.588 -0.733 . . . . 10.0 111.445 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.486 ' O ' ' HE1' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -109.16 115.73 56.3 Favored Pre-proline 0 C--N 1.327 -0.389 0 N-CA-C 109.308 -0.627 . . . . 10.0 109.308 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -55.62 -9.51 2.8 Favored 'Trans proline' 0 N--CA 1.482 0.804 0 C-N-CA 123.649 2.9 . . . . 10.0 114.881 -178.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -105.09 -26.32 12.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.636 0.255 . . . . 10.0 111.187 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -123.3 105.03 9.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.107 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.444 ' NH1' ' HG3' ' B' ' 122' ' ' GLU . 60.4 mtt180 -60.89 -42.84 98.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.811 0.338 . . . . 10.0 111.558 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 22.5 p-90 -155.09 165.74 35.75 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.027 -0.533 . . . . 10.0 110.517 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.67 151.43 37.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.888 0.375 . . . . 10.0 110.865 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -86.39 149.68 24.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.789 -0.642 . . . . 10.0 110.976 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 41.9 t -113.6 131.85 55.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.584 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -91.53 120.89 32.73 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.924 0.392 . . . . 10.0 110.35 178.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.408 HD12 ' HG2' ' A' ' 66' ' ' PRO . 96.1 mt -122.39 132.73 24.22 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.185 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -45.89 129.39 12.11 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.951 2.434 . . . . 10.0 112.336 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -104.54 155.01 19.19 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.975 -0.557 . . . . 10.0 111.128 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.2 m -79.16 135.27 36.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.151 -179.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -77.47 -24.51 50.21 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.154 -0.475 . . . . 10.0 111.181 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.456 -0.783 . . . . 10.0 110.204 -179.78 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.626 0 N-CA-C 111.761 -0.536 . . . . 10.0 111.761 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 2.0 m -97.76 7.34 46.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.819 0.343 . . . . 10.0 110.99 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 24.9 t -80.95 -42.32 20.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.481 0.658 . . . . 10.0 109.795 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -100.0 176.63 5.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.084 -0.962 . . . . 10.0 110.069 179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -125.6 87.7 2.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.221 0.534 . . . . 10.0 109.933 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.09 111.57 1.75 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.719 -0.673 . . . . 10.0 112.236 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 46.78 65.09 1.3 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.381 -0.827 . . . . 10.0 112.08 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.93 -55.51 22.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.771 -0.649 . . . . 10.0 112.501 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -54.16 -48.98 70.29 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 112.444 0.535 . . . . 10.0 112.444 -179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.65 -40.8 97.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.637 0.256 . . . . 10.0 111.11 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 13.3 tt0 -65.07 -41.39 95.11 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.989 -0.374 . . . . 10.0 109.989 179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 30.0 tp -61.93 -40.77 96.64 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.832 0.349 . . . . 10.0 110.296 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -60.59 -46.33 90.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.984 -0.553 . . . . 10.0 110.392 179.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 19.9 mmt180 -64.94 -36.27 83.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.993 -0.549 . . . . 10.0 110.284 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 91.4 mt -59.82 -39.8 86.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.917 0.389 . . . . 10.0 110.092 178.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 20.2 ttmt -68.85 -40.85 79.13 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.517 -0.549 . . . . 10.0 109.517 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -61.73 -28.61 69.55 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.956 -0.565 . . . . 10.0 110.323 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -83.72 -37.17 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.104 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -70.83 -33.1 70.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.397 -0.365 . . . . 10.0 110.898 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -42.2 81.43 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.493 -0.558 . . . . 10.0 109.493 179.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.56 -23.24 63.54 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.285 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.444 ' HG3' ' NH1' ' A' ' 76' ' ' ARG . 11.2 tt0 -75.51 -52.81 9.79 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.76 -0.655 . . . . 10.0 109.981 -179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.88 -40.94 85.87 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.261 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -74.12 -27.71 60.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.496 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' B' ' 125' ' ' LEU . 11.9 mt -68.77 -34.53 75.71 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.252 -0.647 . . . . 10.0 109.252 178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -54.45 -28.6 45.41 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.601 -0.727 . . . . 10.0 110.468 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -65.72 -46.09 80.27 Favored 'General case' 0 CA--C 1.523 -0.072 0 N-CA-C 108.617 -0.882 . . . . 10.0 108.617 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.6 mp -60.04 -42.6 94.79 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.542 -0.754 . . . . 10.0 109.473 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -56.2 -40.75 74.47 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.721 -0.672 . . . . 10.0 110.191 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 18.9 m -63.75 -42.81 97.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.66 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.07 -37.41 87.09 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.465 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -67.24 -41.76 85.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.122 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -55.19 -54.97 36.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.726 -0.67 . . . . 10.0 110.444 178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -112.08 95.81 5.68 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.958 0.409 . . . . 10.0 110.085 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . 0.458 ' O ' ' HG3' ' B' ' 139' ' ' GLU . 0.2 OUTLIER -61.02 -31.67 71.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.718 -0.673 . . . . 10.0 111.854 -178.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -55.02 -44.28 74.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.996 0.427 . . . . 10.0 110.126 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -67.01 -44.13 81.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.657 178.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -63.69 -25.54 68.25 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.684 0.624 . . . . 10.0 112.684 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . 0.552 ' HA ' ' CB ' ' B' ' 144' ' ' ALA . 8.8 mt-10 -85.82 -15.63 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 121.351 -0.843 . . . . 10.0 111.606 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.16 -68.13 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 N-CA-C 115.861 1.8 . . . . 10.0 115.861 -175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -97.14 -83.18 0.4 Allowed 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 117.486 2.402 . . . . 10.0 117.486 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' B' ' 142' ' ' ARG . 0.1 OUTLIER -117.72 -17.87 9.77 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.522 1.055 . . . . 10.0 112.845 -178.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.442 ' HE2' ' HA ' ' B' ' 143' ' ' LYS . 0.1 OUTLIER -52.71 -73.8 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 N-CA-C 115.29 1.589 . . . . 10.0 115.29 -171.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . 0.552 ' CB ' ' HA ' ' B' ' 139' ' ' GLU . . . -46.3 -48.66 18.14 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.564 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.4 mp -54.51 -31.26 55.8 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.262 0.467 . . . . 10.0 112.262 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -81.24 -45.02 16.92 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.917 0.389 . . . . 10.0 111.023 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -74.29 -41.62 60.89 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 120.891 0.377 . . . . 10.0 111.524 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -70.54 -69.76 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.803 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 53.0 tp -76.64 108.54 9.71 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.134 0.492 . . . . 10.0 111.212 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -143.64 66.85 1.29 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.798 -0.637 . . . . 10.0 109.635 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -83.58 126.62 33.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.267 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.606 -0.712 . . . . 10.0 110.313 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.73 0.3 . . . . 10.0 110.23 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.5 m -98.95 153.19 4.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.172 -0.677 . . . . 10.0 109.172 178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.2 -33.37 74.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.769 0.319 . . . . 10.0 111.187 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -112.25 108.38 17.57 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.459 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.38 69.35 0.63 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.253 0.549 . . . . 10.0 110.441 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -93.95 144.4 25.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.231 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -142.95 170.48 15.62 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 95.7 m -130.39 132.46 45.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.183 0.516 . . . . 10.0 111.119 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 13.5 mmt -91.5 168.09 11.78 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.232 -0.895 . . . . 10.0 111.184 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -71.21 -48.17 53.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.895 -0.593 . . . . 10.0 111.7 -178.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' HA2' ' H ' ' A' ' 85' ' ' CYS . . . 160.31 -65.39 0.28 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 119.544 -1.312 . . . . 10.0 113.893 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.7 m -100.29 -1.97 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 113.155 0.798 . . . . 10.0 113.155 -177.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 76.18 -10.84 13.89 Favored Glycine 0 CA--C 1.522 0.507 0 C-N-CA 120.653 -0.784 . . . . 10.0 113.836 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -57.56 -34.22 68.96 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.269 0.47 . . . . 10.0 112.269 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -98.78 15.05 26.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.808 0.337 . . . . 10.0 111.574 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -89.71 125.15 35.16 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 10.0 109.161 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' HA ' ' NH2' ' A' ' 58' ' ' ARG . 0.2 OUTLIER -112.79 46.0 1.26 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 -179.157 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.27 144.65 36.37 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.627 -0.797 . . . . 10.0 112.73 -179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -84.11 59.91 5.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.298 0.57 . . . . 10.0 110.517 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.3 tt -103.04 119.33 51.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.296 -0.866 . . . . 10.0 110.419 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 m -111.64 1.0 16.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.176 -0.465 . . . . 10.0 111.688 -179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -121.36 156.56 32.36 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.765 0.317 . . . . 10.0 110.74 -179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.1 p -100.88 -175.83 3.0 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.505 -0.554 . . . . 10.0 109.505 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -70.53 -33.25 70.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.061 0.458 . . . . 10.0 110.749 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.93 24.04 1.12 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.282 0.845 . . . . 10.0 113.282 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.52 -3.34 8.69 Favored Glycine 0 CA--C 1.522 0.503 0 C-N-CA 120.168 -1.015 . . . . 10.0 115.106 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.88 126.09 30.39 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 117.291 0.545 . . . . 10.0 111.627 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -76.79 137.58 39.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.635 -0.711 . . . . 10.0 110.898 179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 11.3 t -81.46 131.0 35.26 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.507 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.42 151.11 42.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.726 -0.67 . . . . 10.0 109.779 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.453 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -67.36 137.28 55.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.892 0.377 . . . . 10.0 110.845 -179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -64.51 -52.54 57.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.698 -0.683 . . . . 10.0 112.28 -178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -75.8 -5.6 46.62 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.556 0.576 . . . . 10.0 112.556 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.453 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 7.5 t -92.68 135.25 34.26 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.892 0.377 . . . . 10.0 111.203 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -78.68 93.01 4.82 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.0 m -92.36 155.62 42.31 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-N 115.428 -0.806 . . . . 10.0 110.318 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -42.8 -36.19 4.9 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 123.653 2.902 . . . . 10.0 112.235 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -85.75 112.68 21.28 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 108.627 -0.879 . . . . 10.0 108.627 177.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -68.71 143.59 54.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.676 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 -144.99 139.26 27.36 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.145 0.498 . . . . 10.0 110.232 -179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.27 0.62 72.0 Favored Glycine 0 C--N 1.321 -0.301 0 CA-C-N 115.451 -0.795 . . . . 10.0 113.585 -179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -93.01 62.58 3.62 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.106 0.479 . . . . 10.0 111.63 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.2 mm -73.33 128.49 87.37 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.206 178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.16 -27.84 48.61 Favored 'Trans proline' 0 C--N 1.349 0.575 0 C-N-CA 123.5 2.8 . . . . 10.0 113.391 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.58 -22.82 67.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.005 -0.543 . . . . 10.0 111.819 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -79.03 -52.01 8.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.736 0.303 . . . . 10.0 111.417 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.483 ' CE2' HD13 ' B' ' 112' ' ' LEU . 4.1 m-85 -122.05 79.39 42.63 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 10.0 110.381 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.55 -7.88 17.98 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.981 2.454 . . . . 10.0 112.107 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -79.21 -1.04 34.5 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.235 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -106.9 5.67 28.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.796 0.331 . . . . 10.0 110.592 179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.6 t30 55.53 55.79 6.92 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 115.385 -0.825 . . . . 10.0 111.815 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.1 mp -81.03 93.12 6.32 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -128.37 151.76 48.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.887 0.375 . . . . 10.0 111.889 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt 54.09 -111.59 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.287 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -150.05 36.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.584 0.707 . . . . 10.0 110.245 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -80.62 154.66 27.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.554 -0.748 . . . . 10.0 110.343 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 t -76.2 120.32 21.32 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.632 -0.507 . . . . 10.0 109.632 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.454 ' NH2' ' HA ' ' A' ' 17' ' ' ASP . 0.7 OUTLIER -125.74 176.36 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.326 0.584 . . . . 10.0 111.756 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -143.38 88.21 8.13 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 107.771 -1.196 . . . . 10.0 107.771 177.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.21 -7.69 7.89 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.383 2.055 . . . . 10.0 115.348 -177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' HA ' HD21 ' B' ' 112' ' ' LEU . 18.0 t70 -109.53 -12.03 14.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 118.702 0.683 . . . . 10.0 112.048 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 75.58 31.31 0.75 Allowed 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.123 0.487 . . . . 10.0 110.344 -178.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -70.81 -164.7 0.1 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.73 -0.668 . . . . 10.0 111.294 179.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' H ' HD12 ' A' ' 64' ' ' LEU . 4.4 mp -53.62 -48.89 68.88 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.027 0.751 . . . . 10.0 113.027 -177.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.518 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -163.85 153.2 12.26 Favored Pre-proline 0 C--N 1.327 -0.388 0 C-N-CA 120.899 -0.321 . . . . 10.0 111.443 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.15 150.17 10.94 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 123.24 2.627 . . . . 10.0 113.049 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . 0.478 ' HD1' ' O ' ' A' ' 65' ' ' ARG . 35.0 p-90 -159.29 171.71 19.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.467 -0.788 . . . . 10.0 109.42 -178.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.8 p -159.91 166.01 31.03 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.903 0.382 . . . . 10.0 111.383 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -81.67 155.56 25.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.35 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -122.54 143.66 49.58 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.56 -0.456 . . . . 10.0 111.778 -176.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.8 p -77.25 31.08 0.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.872 -0.603 . . . . 10.0 112.312 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.8 120.93 33.51 Favored Pre-proline 0 C--N 1.321 -0.665 0 O-C-N 122.204 -0.31 . . . . 10.0 110.496 -179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.9 -12.99 7.88 Favored 'Trans proline' 0 N--CA 1.477 0.507 0 C-N-CA 123.317 2.678 . . . . 10.0 114.276 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p30 -95.84 -26.38 15.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 122.114 -0.366 . . . . 10.0 111.278 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -124.2 105.44 9.51 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.035 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 71.7 mtt180 -60.64 -40.99 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 10.0 110.375 178.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.425 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 26.6 p-90 -157.12 168.82 26.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.107 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -154.73 155.51 34.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 123.508 0.505 . . . . 10.0 110.556 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -90.41 141.02 29.16 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.743 -0.466 . . . . 10.0 109.743 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.27 132.94 51.73 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.853 0.359 . . . . 10.0 110.133 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.518 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 38.2 t70 -87.22 117.1 25.74 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.488 0.661 . . . . 10.0 111.654 -178.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.2 mt -122.73 133.62 24.55 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.287 -0.869 . . . . 10.0 109.575 179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_endo -48.61 134.48 27.09 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 123.438 2.758 . . . . 10.0 113.093 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -100.74 155.01 18.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.56 -0.746 . . . . 10.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.404 ' H ' ' HA2' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -77.44 -175.16 3.64 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.482 -179.719 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.43 -60.46 2.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.422 -0.354 . . . . 10.0 111.321 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.343 -0.837 . . . . 10.0 110.531 -179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.693 0 N-CA-C 111.744 -0.542 . . . . 10.0 111.744 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -61.33 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.974 0.416 . . . . 10.0 110.465 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 18.8 t -99.42 -40.37 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.024 0.44 . . . . 10.0 110.006 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.59 159.98 33.02 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.676 179.489 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -121.93 34.98 5.01 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.083 0.468 . . . . 10.0 110.52 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 53.6 mt -76.1 152.98 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.48 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 5.6 m 70.9 0.15 3.25 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.521 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -68.75 -48.35 63.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 10.0 110.439 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -68.64 -39.54 80.68 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.534 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.56 95.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.389 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.587 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 22.7 tt0 -67.06 -42.27 85.05 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.283 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.483 HD13 ' CE2' ' A' ' 47' ' ' PHE . 18.4 tp -61.13 -39.66 90.9 Favored 'General case' 0 C--O 1.233 0.2 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.81 -46.3 90.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.836 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' B' ' 114' ' ' ARG . 23.7 mmt180 -63.56 -38.62 91.83 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.958 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 96.3 mt -57.38 -37.74 73.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.896 0.379 . . . . 10.0 110.009 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . 0.426 ' HD3' ' OD1' ' A' ' 61' ' ' ASP . 37.1 mtmt -70.99 -37.44 72.7 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.09 -0.504 . . . . 10.0 109.856 178.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -64.21 -32.87 74.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.35 0.595 . . . . 10.0 109.771 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 54.8 mm-40 -76.45 -37.99 56.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.815 179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -65.25 -39.37 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.6 -0.727 . . . . 10.0 111.473 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.85 -35.37 80.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.531 -0.544 . . . . 10.0 109.531 -179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.58 -26.58 61.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.073 -0.512 . . . . 10.0 110.168 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -81.03 -48.3 12.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.015 -0.538 . . . . 10.0 110.009 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.425 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -59.14 -46.29 88.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.759 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.22 -26.47 62.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 10.0 110.823 -179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 125' ' ' LEU . 8.8 mt -75.25 -35.53 61.39 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.046 -0.724 . . . . 10.0 109.046 178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.53 -30.24 66.94 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.814 -0.63 . . . . 10.0 109.839 177.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.456 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 8.8 ttt180 -63.54 -50.12 70.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 108.718 -0.845 . . . . 10.0 108.718 177.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' B' ' 143' ' ' LYS . 11.1 mp -61.58 -37.57 84.35 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.306 178.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.99 -46.13 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.191 -0.913 . . . . 10.0 109.77 178.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 45.6 m -65.87 -44.2 86.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.814 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 81.8 mt-10 -59.71 -18.16 40.31 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.144 179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . 0.491 ' HA ' ' HD2' ' B' ' 138' ' ' LYS . . . -62.88 -33.55 75.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.07 0.462 . . . . 10.0 110.152 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.96 -58.29 9.2 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.96 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -91.5 97.53 11.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.13 0.491 . . . . 10.0 111.045 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -65.64 -26.7 67.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.77 -0.65 . . . . 10.0 111.383 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -60.54 -32.35 71.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.934 0.397 . . . . 10.0 111.12 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . 0.622 ' O ' ' HB2' ' B' ' 141' ' ' GLU . 8.9 ttmm -88.91 -29.45 19.6 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.341 0.591 . . . . 10.0 109.607 179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . 0.491 ' HD2' ' HA ' ' B' ' 132' ' ' ALA . 31.2 tttp -75.33 8.83 2.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.306 -0.861 . . . . 10.0 112.556 -178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.55 -62.65 1.3 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.946 0.403 . . . . 10.0 110.473 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -91.51 -16.15 27.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.796 0.808 . . . . 10.0 110.391 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . 0.622 ' HB2' ' O ' ' B' ' 137' ' ' LYS . 0.1 OUTLIER -91.99 -5.57 52.78 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.505 -1.225 . . . . 10.0 113.521 -176.329 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.454 ' HD3' HD22 ' B' ' 145' ' ' LEU . 0.0 OUTLIER -46.93 -61.85 1.68 Allowed 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.331 0.863 . . . . 10.0 113.331 -173.496 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.521 ' HB3' HD21 ' B' ' 128' ' ' LEU . 7.1 tmtt? 72.38 -62.79 0.45 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.61 0.364 . . . . 10.0 111.334 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.68 -28.6 70.05 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.137 0.494 . . . . 10.0 111.71 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.454 HD22 ' HD3' ' B' ' 142' ' ' ARG . 7.4 mp -68.14 -24.56 65.01 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.065 -0.516 . . . . 10.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -82.71 -12.7 57.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.758 0.79 . . . . 10.0 109.2 179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -93.97 -44.79 7.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 114.99 -1.004 . . . . 10.0 108.662 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 66.1 tttp -54.37 -44.16 71.99 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.126 -0.943 . . . . 10.0 110.822 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 18.4 mt -49.34 113.98 0.93 Allowed 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.195 0.521 . . . . 10.0 111.703 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -157.82 110.92 2.45 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.482 -0.781 . . . . 10.0 109.228 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -93.95 -179.62 5.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.51 -0.314 . . . . 10.0 110.582 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.275 -0.869 . . . . 10.0 110.079 179.844 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 121.034 0.445 . . . . 10.0 109.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -108.54 88.68 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.91 -0.587 . . . . 10.0 109.938 179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -95.05 96.04 8.99 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.101 -0.5 . . . . 10.0 111.172 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -114.3 115.98 28.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.582 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 p -151.29 98.42 2.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.771 0.32 . . . . 10.0 111.44 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -136.71 99.89 4.18 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.131 -0.486 . . . . 10.0 110.195 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -95.15 159.07 15.19 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.378 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.7 m -107.79 126.05 52.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.388 0.613 . . . . 10.0 110.702 179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 14.7 mmt -97.14 166.63 11.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.262 -0.881 . . . . 10.0 112.241 -179.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -61.12 -49.67 76.33 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.575 -0.739 . . . . 10.0 110.161 179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 148.03 -48.68 0.62 Allowed Glycine 0 N--CA 1.442 -0.931 0 C-N-CA 119.678 -1.248 . . . . 10.0 113.935 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.7 -5.63 24.73 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 117.611 0.706 . . . . 10.0 112.531 -177.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.69 -6.59 45.95 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.314 -0.946 . . . . 10.0 113.201 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -59.79 -32.6 70.77 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.776 0.322 . . . . 10.0 111.64 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -101.78 16.15 26.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.432 -0.349 . . . . 10.0 111.342 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -88.28 119.66 28.9 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.651 -0.249 . . . . 10.0 111.443 -179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -124.75 67.91 1.1 Allowed 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.118 -0.697 . . . . 10.0 109.118 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.23 161.89 29.26 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.537 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.43 34.49 0.88 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.4 0.619 . . . . 10.0 110.36 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 57' ' ' CYS . 4.8 tt -87.28 120.96 37.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.352 -0.84 . . . . 10.0 110.128 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 m -121.66 8.14 10.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.759 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -123.59 152.96 41.34 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.795 -0.639 . . . . 10.0 109.526 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.4 p -97.13 -178.78 4.3 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.362 -0.607 . . . . 10.0 109.362 179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.407 ' H ' ' HG3' ' A' ' 24' ' ' MET . 3.6 ppp? -75.87 -25.41 56.12 Favored 'General case' 0 C--N 1.323 -0.586 0 C-N-CA 120.66 -0.416 . . . . 10.0 110.038 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.5 m -90.68 25.23 2.4 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 112.946 0.721 . . . . 10.0 112.946 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.33 -8.36 2.94 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 115.961 1.144 . . . . 10.0 115.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 37.5 mt -69.64 130.41 42.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 117.697 0.749 . . . . 10.0 111.664 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -77.25 128.17 33.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.517 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.4 t -68.27 139.98 55.99 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.683 0.754 . . . . 10.0 112.499 -179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -81.7 144.05 31.42 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.467 -1.242 . . . . 10.0 110.389 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.757 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -68.86 133.3 48.08 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.424 0.63 . . . . 10.0 112.051 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' HB3' ' HG3' ' A' ' 44' ' ' PRO . 90.8 m95 -67.26 -52.22 43.42 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.364 -0.835 . . . . 10.0 112.343 -179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -79.25 -3.61 46.75 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 113.366 0.876 . . . . 10.0 113.366 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.757 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 27.0 m -101.33 143.94 30.77 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.801 0.334 . . . . 10.0 111.655 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -81.38 139.04 35.54 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.771 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -147.19 154.24 45.85 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.433 -178.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -41.52 -33.99 1.89 Allowed 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 123.217 2.611 . . . . 10.0 112.248 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -86.98 98.8 11.46 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.474 -0.936 . . . . 10.0 108.474 178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.43 149.84 47.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.892 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 43.7 p-80 -147.53 135.36 21.14 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.278 0.561 . . . . 10.0 110.742 -179.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.81 -1.24 80.41 Favored Glycine 0 CA--C 1.518 0.265 0 CA-C-N 115.563 -0.744 . . . . 10.0 112.94 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -89.83 67.1 7.19 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.285 0.564 . . . . 10.0 110.62 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 45' ' ' SER . 35.1 mm -72.48 126.8 90.74 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.449 -0.796 . . . . 10.0 111.475 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.443 ' HB3' ' HB3' ' A' ' 52' ' ' LEU . 50.3 Cg_exo -57.5 -30.28 87.76 Favored 'Trans proline' 0 C--N 1.35 0.614 0 C-N-CA 123.508 2.805 . . . . 10.0 113.123 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -67.33 -17.36 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.551 -179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HE2' ' OE1' ' B' ' 111' ' ' GLU . 12.2 mptt -84.35 -50.11 8.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.427 -0.352 . . . . 10.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.449 ' CE1' ' HB1' ' B' ' 108' ' ' ALA . 4.2 m-85 -116.21 83.12 12.3 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.552 -0.294 . . . . 10.0 111.341 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -79.41 -8.09 14.97 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.168 1.912 . . . . 10.0 111.961 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -80.62 -7.83 59.41 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.639 -0.71 . . . . 10.0 111.503 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 50' ' ' LYS . 65.0 mmtt -102.4 4.96 39.44 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.134 -0.226 . . . . 10.0 111.325 -179.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.4 t30 56.33 54.19 7.94 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.605 0.717 . . . . 10.0 111.144 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.443 ' HB3' ' HB3' ' A' ' 44' ' ' PRO . 1.2 mp -81.03 93.06 6.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.668 -0.697 . . . . 10.0 109.434 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -128.13 151.61 49.01 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.136 0.493 . . . . 10.0 112.314 -178.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt 50.74 -107.6 0.3 Allowed 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 114.645 -1.161 . . . . 10.0 111.761 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 31' ' ' ALA . 26.9 p-10 -152.37 36.42 0.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.486 0.66 . . . . 10.0 109.515 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -79.31 150.64 31.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.973 -0.558 . . . . 10.0 110.99 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.465 ' HB3' HG23 ' A' ' 20' ' ' ILE . 34.7 t -82.74 120.39 25.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.923 -0.581 . . . . 10.0 109.713 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.2 mmt85 -139.31 176.41 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -113.16 89.91 15.22 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.559 -0.904 . . . . 10.0 108.559 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -83.58 -26.29 2.16 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 122.243 1.962 . . . . 10.0 114.566 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.71 ' HA ' HD21 ' B' ' 112' ' ' LEU . 2.6 t0 -92.49 -6.89 48.87 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 122.034 -0.416 . . . . 10.0 111.205 -178.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.4 mtm105 66.08 30.75 9.33 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.613 0.72 . . . . 10.0 109.588 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -84.0 -157.9 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.952 -1.022 . . . . 10.0 112.169 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -47.94 -47.59 32.45 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.377 0.88 . . . . 10.0 113.377 -177.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 79' ' ' TYR . 22.3 ptt180 -170.58 163.73 5.72 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 121.183 -0.207 . . . . 10.0 111.135 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 74.8 Cg_exo -52.58 149.53 24.02 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 122.919 2.413 . . . . 10.0 113.613 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 58.4 p-90 -159.58 171.0 20.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.95 -1.023 . . . . 10.0 109.259 -179.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 3.7 p -161.39 164.94 29.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.86 0.362 . . . . 10.0 110.999 178.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -78.06 156.74 29.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.486 -0.779 . . . . 10.0 109.921 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -122.4 142.46 50.51 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.942 0.401 . . . . 10.0 111.405 -177.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.6 28.72 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.239 0.543 . . . . 10.0 111.364 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -112.07 125.79 29.57 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.788 -179.375 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 37.5 Cg_exo -60.31 -11.09 14.98 Favored 'Trans proline' 0 N--CA 1.477 0.528 0 C-N-CA 123.052 2.501 . . . . 10.0 114.329 -178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -86.57 -52.12 5.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 10.0 111.037 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -111.99 126.12 54.8 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.62 0.247 . . . . 10.0 110.607 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.403 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 47.5 mtt180 -70.96 -36.85 72.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.902 0.382 . . . . 10.0 110.384 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 55.4 p-90 -155.65 160.3 40.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.036 179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -145.13 155.96 43.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.05 0.452 . . . . 10.0 111.495 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.437 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 5.6 m-85 -88.48 158.92 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.637 -0.711 . . . . 10.0 111.088 179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.32 133.31 54.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.435 -0.348 . . . . 10.0 110.859 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -87.96 119.37 28.26 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.018 0.437 . . . . 10.0 110.651 179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 5.6 mt -124.81 138.2 30.93 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.632 -0.713 . . . . 10.0 109.975 -179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -50.4 127.2 19.61 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.075 2.516 . . . . 10.0 112.331 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -99.37 151.79 20.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.252 -0.431 . . . . 10.0 110.89 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.446 ' HB2' ' O ' ' A' ' 9' ' ' MET . 5.3 t -80.69 125.75 30.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.23 -0.441 . . . . 10.0 109.823 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.14 -28.13 25.75 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.943 0.402 . . . . 10.0 110.438 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.536 -0.745 . . . . 10.0 110.461 179.841 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 112.072 -0.411 . . . . 10.0 112.072 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.68 14.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.784 0.292 . . . . 10.0 111.635 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.6 m -135.9 -33.7 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 -179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.45 137.08 37.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.773 0.32 . . . . 10.0 111.024 -179.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -139.47 42.21 2.03 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.433 0.635 . . . . 10.0 110.239 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 4.3 mp -72.67 136.57 45.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.88 -0.6 . . . . 10.0 109.977 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 2.0 m 64.65 28.1 13.18 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.545 0.688 . . . . 10.0 110.476 -179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.449 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -72.31 -45.8 58.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.24 -179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -55.27 -43.94 75.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.816 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.11 -42.66 88.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.942 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.604 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 44.5 tt0 -67.71 -40.82 84.25 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.115 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' A' ' 61' ' ' ASP . 27.8 tp -58.84 -42.36 89.11 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.902 0.382 . . . . 10.0 110.905 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -58.91 -42.56 89.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.899 -0.591 . . . . 10.0 110.409 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' B' ' 114' ' ' ARG . 17.3 mmt180 -67.93 -36.63 80.48 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.786 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 84.9 mt -58.97 -42.59 90.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.895 178.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -65.23 -39.68 93.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.567 178.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -60.34 -30.87 69.8 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.591 179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -86.66 -35.05 19.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.072 -0.513 . . . . 10.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' B' ' 122' ' ' GLU . 32.9 ttp85 -72.73 -33.56 66.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.695 0.283 . . . . 10.0 110.744 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -66.58 -43.08 85.91 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.1 -0.704 . . . . 10.0 109.1 178.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -68.27 -20.33 64.77 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 121.194 0.521 . . . . 10.0 109.884 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.428 ' HB3' ' O ' ' B' ' 119' ' ' ARG . 40.3 tt0 -77.19 -53.8 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.892 -179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.4 -39.32 86.93 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.973 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -69.81 -27.59 65.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.728 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 11.5 mt -77.66 -33.42 53.39 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.666 -0.494 . . . . 10.0 109.666 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.403 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.4 mm-40 -58.84 -29.37 66.87 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.248 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 -43.88 90.17 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 108.54 -0.911 . . . . 10.0 108.54 177.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.0 mp -67.63 -36.77 81.43 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.608 -0.724 . . . . 10.0 109.398 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -56.76 -39.97 74.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.753 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 46.4 m -62.63 -41.29 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.991 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -66.39 -31.66 72.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 10.0 110.701 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -72.54 -41.87 65.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.893 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -53.79 -45.3 70.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.559 -0.746 . . . . 10.0 111.671 179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -138.01 120.16 15.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.517 -0.31 . . . . 10.0 110.742 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -67.74 -21.24 65.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.962 -0.563 . . . . 10.0 110.469 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -76.16 -43.2 43.89 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.298 -1.001 . . . . 10.0 108.298 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 21.9 ttmm -60.63 -45.16 95.11 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.235 -0.893 . . . . 10.0 109.109 178.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 51.1 tttp -45.55 -39.77 7.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.999 -1.0 . . . . 10.0 111.894 177.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -87.54 -31.19 20.04 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 120.912 0.387 . . . . 10.0 109.958 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -55.88 -38.81 70.67 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.714 -0.676 . . . . 10.0 110.399 178.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -44.77 -9.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.296 1.591 . . . . 10.0 115.296 177.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' B' ' 144' ' ' ALA . 0.0 OUTLIER -49.05 -17.32 0.2 Allowed 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 118.309 0.504 . . . . 10.0 111.892 179.485 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.5 ' HE2' ' O ' ' B' ' 143' ' ' LYS . 3.2 ttpt -83.9 36.34 0.55 Allowed 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 108.524 -0.917 . . . . 10.0 108.524 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' ' 142' ' ' ARG . . . -78.55 -43.14 27.4 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.867 -1.06 . . . . 10.0 110.715 -177.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . 0.525 ' H ' HD12 ' B' ' 145' ' ' LEU . 5.0 mp -53.98 -43.7 70.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.821 -0.627 . . . . 10.0 111.255 179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -71.47 -54.32 11.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.745 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -53.08 -46.2 68.5 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.726 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -69.53 -59.16 3.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.404 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 68.3 mt -84.41 50.9 1.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.935 0.397 . . . . 10.0 110.902 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -79.6 -58.51 3.16 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.034 -0.53 . . . . 10.0 111.107 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -111.13 156.41 21.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.26 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.44 -0.791 . . . . 10.0 110.63 -179.73 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 110.127 -0.323 . . . . 10.0 110.127 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.2 m -115.56 149.93 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 10.0 110.829 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 19.3 mp0 -108.73 18.34 20.91 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.57 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -121.61 150.56 41.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.844 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -90.12 139.04 31.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.271 -0.422 . . . . 10.0 110.512 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -119.9 -8.24 9.86 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.298 0.57 . . . . 10.0 110.172 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -82.27 150.04 27.49 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.611 -0.722 . . . . 10.0 110.791 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.4 m -107.56 126.68 52.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.285 0.564 . . . . 10.0 110.408 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.539 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 22.0 mmt -95.95 168.93 10.33 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.689 -0.687 . . . . 10.0 111.605 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 61.5 t60 -64.76 -60.44 3.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.403 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 168.4 -63.55 0.19 Allowed Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 119.694 -1.241 . . . . 10.0 114.496 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.8 t -101.05 -1.98 32.78 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.517 0.659 . . . . 10.0 112.595 -177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.63 0.9 75.3 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.389 -0.91 . . . . 10.0 113.799 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.04 -26.86 64.95 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.797 0.332 . . . . 10.0 111.876 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -118.1 20.72 13.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.89 0.376 . . . . 10.0 110.913 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -82.68 118.48 23.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.447 -179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -122.86 77.41 1.44 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.534 -0.913 . . . . 10.0 108.534 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.67 160.21 14.1 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.254 -0.974 . . . . 10.0 113.025 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -84.43 53.33 2.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 10.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 5.9 tt -99.29 114.92 38.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.279 -0.873 . . . . 10.0 109.796 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -113.11 0.87 15.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.586 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -120.69 158.51 27.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.388 -0.369 . . . . 10.0 110.447 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 p -99.0 172.1 7.62 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.937 -0.764 . . . . 10.0 108.937 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -64.01 -27.09 68.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.969 0.414 . . . . 10.0 110.771 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.49 24.99 2.09 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.074 0.768 . . . . 10.0 113.074 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.69 -8.98 2.89 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 116.4 1.32 . . . . 10.0 116.4 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 33.5 mt -74.08 132.51 42.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 117.971 0.886 . . . . 10.0 112.036 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -75.2 132.32 41.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 10.0 110.284 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.732 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 35.9 t -70.76 142.1 51.42 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.535 0.683 . . . . 10.0 112.67 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -84.01 142.29 30.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 114.731 -1.122 . . . . 10.0 108.893 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.51 138.93 49.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.258 0.551 . . . . 10.0 112.382 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -60.2 -51.37 69.88 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.209 -0.905 . . . . 10.0 112.315 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.02 -6.51 54.77 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.272 0.842 . . . . 10.0 113.272 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.8 m -87.41 135.35 33.37 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.512 -0.475 . . . . 10.0 112.003 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -91.65 84.25 5.44 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.729 0.776 . . . . 10.0 109.138 178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -92.59 154.8 42.45 Favored Pre-proline 0 C--N 1.314 -0.951 0 CA-C-N 114.622 -1.172 . . . . 10.0 109.627 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -38.62 -31.42 0.23 Allowed 'Trans proline' 0 C--N 1.357 0.987 0 C-N-CA 123.489 2.793 . . . . 10.0 112.801 178.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -85.93 96.94 9.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.992 -1.114 . . . . 10.0 107.992 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -67.19 148.9 51.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.65 -0.705 . . . . 10.0 111.45 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -152.03 150.59 30.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.044 0.45 . . . . 10.0 111.252 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.91 0.82 62.84 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.468 -0.787 . . . . 10.0 113.367 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -84.99 62.03 7.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.993 0.425 . . . . 10.0 111.748 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.462 HG22 ' H ' ' A' ' 45' ' ' SER . 23.0 mm -73.96 126.69 89.16 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.013 -0.54 . . . . 10.0 110.65 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.36 -21.44 53.09 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.135 2.557 . . . . 10.0 113.289 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.462 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.4 m -70.59 -11.84 61.19 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.055 -0.521 . . . . 10.0 111.266 -179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -90.69 -55.0 3.74 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.48 -0.327 . . . . 10.0 110.926 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -120.09 82.45 29.67 Favored Pre-proline 0 CA--C 1.531 0.218 0 CA-C-O 120.735 0.302 . . . . 10.0 111.358 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -79.34 -3.47 13.05 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.347 2.031 . . . . 10.0 111.932 179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.9 p-10 -76.67 -12.64 60.03 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.577 -0.738 . . . . 10.0 111.845 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 49.7 mmtt -102.07 7.83 41.02 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.879 -0.329 . . . . 10.0 111.069 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 48.9 t30 54.51 63.54 2.12 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.955 178.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.9 mp -80.83 63.57 5.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.12 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -96.22 150.66 20.28 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.189 0.811 . . . . 10.0 113.189 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt 49.72 -113.31 0.62 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 114.372 -1.285 . . . . 10.0 112.469 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -146.5 33.43 0.96 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.792 0.806 . . . . 10.0 109.599 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -79.68 152.36 29.98 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.44 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.5 t -81.0 121.72 26.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.376 -0.829 . . . . 10.0 109.484 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -134.98 177.21 7.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.057 0.456 . . . . 10.0 110.628 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.424 ' OD1' ' HA ' ' A' ' 62' ' ' ARG . 27.3 t-20 -121.13 95.63 48.65 Favored Pre-proline 0 C--N 1.32 -0.684 0 N-CA-C 107.781 -1.192 . . . . 10.0 107.781 178.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -86.99 -28.2 0.56 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.675 2.25 . . . . 10.0 115.842 -176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.807 ' HA ' HD21 ' B' ' 112' ' ' LEU . 1.6 m-20 -96.69 -1.11 47.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 118.614 0.643 . . . . 10.0 112.556 -177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.424 ' HA ' ' OD1' ' A' ' 59' ' ' ASN . 16.2 mtm180 66.54 32.81 7.04 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.419 0.628 . . . . 10.0 109.889 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -83.66 -160.59 0.45 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.031 -0.986 . . . . 10.0 112.111 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 mt -51.52 -47.94 63.16 Favored 'General case' 0 C--O 1.237 0.433 0 N-CA-C 113.575 0.954 . . . . 10.0 113.575 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.2 ptt180 -166.8 159.34 11.29 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 120.844 -0.343 . . . . 10.0 111.788 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -53.32 149.86 27.92 Favored 'Trans proline' 0 C--O 1.237 0.453 0 C-N-CA 122.752 2.302 . . . . 10.0 112.663 179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 64.3 p-90 -157.18 173.25 17.26 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.801 -0.814 . . . . 10.0 108.801 -178.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.732 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 4.9 p -162.65 162.21 26.89 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.739 -0.385 . . . . 10.0 111.396 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -76.31 155.26 34.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.518 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.07 142.59 50.7 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.996 0.427 . . . . 10.0 111.786 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.8 p -81.01 38.16 0.46 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.564 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.411 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -116.38 134.75 22.8 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 10.0 110.158 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 72' ' ' ASP . 15.1 Cg_exo -69.04 -9.11 25.45 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.897 2.398 . . . . 10.0 113.561 -179.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -94.55 -41.85 9.12 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.82 0.304 . . . . 10.0 111.82 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.26 129.59 53.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.673 0.273 . . . . 10.0 110.95 -179.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -75.36 -35.12 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.703 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 23.4 p-90 -154.14 165.8 35.09 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -148.53 155.87 41.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.26 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -90.7 148.88 22.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.48 179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -123.04 139.45 54.06 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.084 -0.339 . . . . 10.0 110.084 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.75 121.78 41.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.176 0.512 . . . . 10.0 111.389 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.04 137.72 24.77 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.944 -0.762 . . . . 10.0 108.944 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -45.96 128.86 11.84 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 123.137 2.558 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -100.12 153.76 18.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.826 0.346 . . . . 10.0 110.673 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.539 ' HB2' ' O ' ' A' ' 9' ' ' MET . 6.2 t -81.14 113.47 19.32 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.183 -179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -68.39 -44.5 74.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.217 0.532 . . . . 10.0 110.277 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.474 -0.775 . . . . 10.0 109.683 179.489 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.833 -0.507 . . . . 10.0 111.833 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 5.9 m -73.34 -53.64 10.3 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.96 0.409 . . . . 10.0 110.479 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 m -131.74 143.43 40.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.551 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -118.64 141.78 48.27 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.726 -0.472 . . . . 10.0 109.726 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 10.9 ptmm? -143.39 76.61 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.249 0.547 . . . . 10.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 5.2 mp -94.3 112.28 24.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 10.7 m 66.56 111.15 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.466 0.65 . . . . 10.0 111.799 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.14 -56.9 15.95 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.958 0.725 . . . . 10.0 112.958 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -56.21 -42.51 77.32 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.16 -39.52 86.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.889 0.376 . . . . 10.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.407 ' O ' ' HG ' ' B' ' 115' ' ' LEU . 2.7 tp10 -64.87 -48.34 74.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.886 -0.597 . . . . 10.0 110.596 -179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.807 HD21 ' HA ' ' A' ' 61' ' ' ASP . 18.4 tp -61.73 -41.78 98.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.037 0.446 . . . . 10.0 110.34 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -61.6 -44.85 96.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.602 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -70.95 -36.27 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.275 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' B' ' 111' ' ' GLU . 68.4 mt -59.34 -40.19 85.6 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.442 0.639 . . . . 10.0 109.543 177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -66.52 -39.33 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.38 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -63.73 -30.27 71.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.414 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -74.24 -41.16 61.76 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.552 -0.536 . . . . 10.0 109.552 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 17.2 mtm105 -67.72 -32.53 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.919 178.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -60.45 -49.81 76.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -65.12 -23.61 67.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.747 -0.66 . . . . 10.0 110.622 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.3 OUTLIER -83.8 -42.21 16.73 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.658 -0.701 . . . . 10.0 110.359 -178.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.29 95.98 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.951 0.405 . . . . 10.0 110.516 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -69.21 -25.37 64.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.344 0.593 . . . . 10.0 109.565 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.7 -34.02 46.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.647 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 5.4 mm-40 -61.1 -28.25 68.95 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.373 -0.602 . . . . 10.0 109.373 177.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.12 -35.06 73.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.653 -0.703 . . . . 10.0 109.143 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.1 mp -73.81 -32.24 63.63 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.402 -0.592 . . . . 10.0 109.402 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -54.81 -35.81 64.28 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.584 -0.735 . . . . 10.0 110.123 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -61.09 -40.96 95.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.6 179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.553 ' OE1' ' HG3' ' B' ' 138' ' ' LYS . 29.4 mt-10 -64.72 -38.3 90.51 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.205 0.526 . . . . 10.0 110.576 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.65 -38.11 65.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.319 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.66 -54.08 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.682 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -125.29 118.94 27.06 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.233 -0.44 . . . . 10.0 110.423 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -71.55 -25.93 62.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.292 0.479 . . . . 10.0 112.292 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -69.61 -48.92 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.907 -0.775 . . . . 10.0 108.907 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 13.0 ttmm -62.95 -32.66 74.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.63 -0.714 . . . . 10.0 110.153 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . 0.553 ' HG3' ' OE1' ' B' ' 131' ' ' GLU . 39.8 tttp -50.56 -44.37 56.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 10.0 112.082 179.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -70.34 -26.55 63.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.689 0.28 . . . . 10.0 111.23 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -67.77 -40.04 84.06 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.108 0.41 . . . . 10.0 112.108 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.16 -16.6 3.25 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 113.23 0.826 . . . . 10.0 113.23 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 16.7 mmp_? -64.5 -12.45 44.39 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-O 121.412 0.625 . . . . 10.0 110.292 179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -73.99 87.38 1.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.215 -0.902 . . . . 10.0 108.895 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -82.53 -17.89 43.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.756 -0.656 . . . . 10.0 112.19 -177.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.2 mp -56.24 -53.16 60.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.459 -0.337 . . . . 10.0 111.718 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -74.61 -30.14 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.473 0.654 . . . . 10.0 110.53 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.0 -61.09 2.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.106 -0.952 . . . . 10.0 110.991 -179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -63.82 -48.0 78.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.214 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 5.0 mp -97.07 77.03 2.7 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-O 121.021 0.439 . . . . 10.0 110.806 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -85.76 108.04 17.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.363 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -81.34 -34.47 31.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.61 -179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.271 -0.871 . . . . 10.0 110.532 -179.018 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.813 0.34 . . . . 10.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.35 69.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.44 0.638 . . . . 10.0 110.312 179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -109.52 -18.11 13.59 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.652 -0.704 . . . . 10.0 110.754 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -109.82 53.41 0.69 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.788 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.49 105.56 5.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.668 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -102.11 132.94 47.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.833 0.349 . . . . 10.0 110.386 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.42 173.87 6.13 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.374 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.2 m -108.14 126.62 52.98 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.3 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 85' ' ' CYS . 23.1 mmt -93.74 168.23 11.14 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.566 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -61.1 -56.44 20.84 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 115.831 -0.622 . . . . 10.0 109.873 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.23 -50.79 0.49 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 119.837 -1.173 . . . . 10.0 113.92 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.88 -9.44 21.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.646 0.723 . . . . 10.0 112.882 -178.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 81.8 -13.53 36.1 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.498 -0.858 . . . . 10.0 113.442 -179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 4.2 tm-20 -58.78 -32.9 69.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.867 0.365 . . . . 10.0 111.588 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -100.32 18.43 18.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.723 0.297 . . . . 10.0 111.588 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -97.41 128.38 44.16 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.726 0.298 . . . . 10.0 111.083 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -126.23 71.68 1.28 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -99.12 165.17 20.63 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.458 -0.877 . . . . 10.0 112.666 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -94.54 44.06 1.1 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.071 0.462 . . . . 10.0 110.669 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 6.5 tt -94.53 118.87 41.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.722 -0.672 . . . . 10.0 109.925 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.09 8.06 12.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.218 0.532 . . . . 10.0 110.733 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -115.11 148.24 39.22 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.72 -0.673 . . . . 10.0 110.064 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.4 p -100.26 -174.08 2.58 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.306 -0.628 . . . . 10.0 109.306 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -27.77 62.04 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.52 -0.472 . . . . 10.0 110.684 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 33.4 m -91.94 24.91 3.0 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 112.836 0.68 . . . . 10.0 112.836 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.02 -7.22 3.29 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 119.918 -1.134 . . . . 10.0 115.599 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD12 ' HG3' ' A' ' 78' ' ' GLU . 27.5 mt -68.36 129.05 38.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 117.631 0.716 . . . . 10.0 111.351 -178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -80.39 132.21 35.73 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.829 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 38.9 t -70.13 134.05 47.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.448 -0.796 . . . . 10.0 112.626 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.14 144.21 48.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.074 -0.966 . . . . 10.0 110.096 178.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.2 129.77 40.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 10.0 110.381 179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 89.4 m95 -63.81 -51.86 62.85 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.735 -0.666 . . . . 10.0 112.247 -178.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -69.95 -7.88 44.27 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.392 0.886 . . . . 10.0 113.392 -179.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.5 m -104.1 134.76 46.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.912 0.387 . . . . 10.0 111.521 -179.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -87.07 101.2 13.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.023 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.2 p -91.48 159.16 39.53 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.359 -0.837 . . . . 10.0 109.138 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -36.23 -31.21 0.09 OUTLIER 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 123.42 2.746 . . . . 10.0 112.904 177.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.2 m170 -90.55 113.66 25.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 108.521 -0.918 . . . . 10.0 108.521 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.91 145.44 51.95 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.677 -179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 28.6 p-80 -141.42 138.41 32.92 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.306 0.574 . . . . 10.0 110.407 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.2 -1.16 76.02 Favored Glycine 0 C--O 1.228 -0.252 0 CA-C-N 115.28 -0.873 . . . . 10.0 113.616 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.43 67.05 6.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.34 0.59 . . . . 10.0 111.169 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG22 ' H ' ' A' ' 45' ' ' SER . 38.1 mm -72.59 125.27 91.35 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.363 -0.835 . . . . 10.0 110.756 179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.2 -27.65 81.21 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 123.116 2.544 . . . . 10.0 113.302 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 43' ' ' ILE . 1.0 OUTLIER -69.88 -14.11 62.58 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.382 -0.372 . . . . 10.0 111.512 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.725 ' O ' ' HA ' ' B' ' 102' ' ' SER . 25.5 mmtp -86.28 -48.04 8.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.439 -0.346 . . . . 10.0 110.388 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -124.6 74.13 62.47 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.907 -0.405 . . . . 10.0 109.907 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.522 ' HD2' ' O ' ' B' ' 102' ' ' SER . 72.0 Cg_endo -78.42 -5.97 15.24 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.558 2.172 . . . . 10.0 112.189 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 p-10 -79.84 -0.98 36.96 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.718 . . . . 10.0 111.661 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -106.24 6.47 30.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.797 0.295 . . . . 10.0 111.797 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 t30 62.73 48.09 4.37 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.478 0.656 . . . . 10.0 111.416 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.7 tp -81.23 83.78 6.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.413 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -122.87 158.61 29.96 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.031 0.443 . . . . 10.0 111.986 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt 53.63 -117.16 1.14 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.123 -0.944 . . . . 10.0 112.288 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -150.28 36.98 0.67 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.673 0.749 . . . . 10.0 109.828 -178.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -86.0 157.71 20.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.609 -0.723 . . . . 10.0 110.735 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.2 t -85.41 120.87 27.36 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.012 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 22.8 mmt85 -135.56 172.71 12.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.995 0.426 . . . . 10.0 110.929 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 14' ' ' GLU . 51.5 t-20 -125.15 86.49 56.78 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 108.553 -0.906 . . . . 10.0 108.553 178.252 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -87.67 -7.13 6.63 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 122.856 2.371 . . . . 10.0 114.215 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 1.002 ' HA ' HD21 ' B' ' 112' ' ' LEU . 6.5 t70 -105.83 -11.17 16.33 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 111.877 0.325 . . . . 10.0 111.877 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 47.3 mtm105 72.98 21.94 3.11 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.997 0.519 . . . . 10.0 111.515 -179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' HB3' ' OD1' ' A' ' 61' ' ' ASP . 2.6 p-10 -69.88 -173.7 0.66 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.979 0.418 . . . . 10.0 111.368 179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.9 mp -48.49 -47.66 38.51 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.784 1.031 . . . . 10.0 113.784 -177.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -157.08 148.3 16.76 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 120.479 -0.488 . . . . 10.0 112.209 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.65 149.17 19.4 Favored 'Trans proline' 0 C--N 1.354 0.839 0 C-N-CA 123.243 2.629 . . . . 10.0 112.723 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 51.5 p-90 -157.6 172.44 18.53 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.797 -0.638 . . . . 10.0 109.743 -178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.627 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 12.5 p -161.15 163.33 31.36 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.634 178.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -76.7 154.8 33.83 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.866 -0.607 . . . . 10.0 109.455 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.65 140.73 52.52 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.002 0.429 . . . . 10.0 110.608 -177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.98 39.75 0.44 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.654 -179.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.65 123.93 29.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.786 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.4 -15.12 28.15 Favored 'Trans proline' 0 N--CA 1.477 0.543 0 C-N-CA 123.098 2.532 . . . . 10.0 114.251 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -101.97 -26.42 13.42 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.841 0.353 . . . . 10.0 111.503 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.4 tptp -122.92 107.75 12.2 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.521 -0.309 . . . . 10.0 110.339 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 122' ' ' GLU . 50.0 mtm180 -68.71 -38.2 80.08 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.863 0.32 . . . . 10.0 111.863 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -152.51 158.55 42.71 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.178 -0.304 . . . . 10.0 110.178 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.425 ' HG3' HD12 ' A' ' 27' ' ' LEU . 18.7 mm-40 -146.46 152.12 38.5 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.645 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -81.69 154.25 26.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.013 0.435 . . . . 10.0 110.672 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -120.68 126.4 50.12 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.527 -0.545 . . . . 10.0 109.527 178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -87.79 120.69 29.36 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.103 0.478 . . . . 10.0 110.92 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.0 mt -124.82 134.67 25.86 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.553 -0.749 . . . . 10.0 109.373 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -44.34 126.93 7.02 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 123.468 2.779 . . . . 10.0 113.38 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.3 ttp-105 -93.34 149.27 21.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.624 -179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.469 ' HB2' ' O ' ' A' ' 9' ' ' MET . 15.5 t -81.75 113.17 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.368 -0.378 . . . . 10.0 110.137 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.99 -71.69 0.53 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.185 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.189 -0.91 . . . . 10.0 109.735 179.734 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 111.892 -0.483 . . . . 10.0 111.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . 0.725 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 66.2 m -155.0 -53.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.742 0.306 . . . . 10.0 111.372 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 11.7 t -110.53 -24.74 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.094 0.473 . . . . 10.0 110.785 -179.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -85.24 159.24 20.12 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.275 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -82.92 -26.01 31.86 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.949 -0.301 . . . . 10.0 110.725 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 40.1 mt -62.32 132.84 53.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.374 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 11.0 m 76.31 -45.74 0.52 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.981 -0.554 . . . . 10.0 110.86 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.57 -47.69 80.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.233 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -53.24 -45.06 68.57 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.889 0.376 . . . . 10.0 111.308 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.65 -41.47 92.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 10.0 111.096 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -67.63 -39.42 84.67 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.311 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 1.002 HD21 ' HA ' ' A' ' 61' ' ' ASP . 17.6 tp -66.81 -42.05 86.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.877 -0.601 . . . . 10.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -64.14 -43.81 94.1 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.23 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.561 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 36.6 mmt-85 -63.71 -37.74 88.5 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.423 -0.353 . . . . 10.0 110.447 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 17.1 mt -57.33 -36.6 71.34 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.82 0.343 . . . . 10.0 110.13 178.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.81 -38.94 90.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 10.0 109.826 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -63.37 -31.68 72.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.259 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 3.9 mm-40 -78.96 -39.92 33.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.813 -0.63 . . . . 10.0 109.921 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' CZ ' ' B' ' 119' ' ' ARG . 1.1 mtm105 -73.4 -33.38 64.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.699 -0.682 . . . . 10.0 112.188 -178.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -42.12 98.05 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.957 -0.757 . . . . 10.0 108.957 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -69.23 -19.32 63.94 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.623 179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 0.2 OUTLIER -81.91 -49.49 10.25 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.029 -0.532 . . . . 10.0 109.764 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.417 ' N ' ' HG2' ' B' ' 122' ' ' GLU . . . -62.22 -41.16 98.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.966 -0.561 . . . . 10.0 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -73.1 -20.55 60.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.36 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 3.7 mt -79.35 -28.68 42.0 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.018 -0.734 . . . . 10.0 109.018 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 4.9 mm-40 -56.04 -31.27 62.99 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.8 -0.636 . . . . 10.0 109.653 177.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . 0.428 ' O ' ' HG3' ' B' ' 131' ' ' GLU . 17.5 ttt180 -65.65 -44.8 85.23 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 109.05 -0.722 . . . . 10.0 109.05 178.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.6 mp -64.46 -38.27 90.45 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.28 -0.637 . . . . 10.0 109.28 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -57.61 -37.88 74.01 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.639 -0.71 . . . . 10.0 109.938 177.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 30.5 m -69.35 -42.5 75.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.492 -0.777 . . . . 10.0 109.608 178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' B' ' 127' ' ' ARG . 80.7 mt-10 -64.35 -26.01 68.28 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.385 179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -73.99 -39.69 63.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.996 0.427 . . . . 10.0 110.158 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -60.82 -59.8 4.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.214 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -106.94 109.58 21.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -65.49 -13.04 57.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.031 -0.532 . . . . 10.0 111.708 -179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.86 14.81 1.61 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 10.0 110.639 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -100.86 -4.56 27.6 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.875 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -90.07 65.71 6.57 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 106.518 -1.66 . . . . 10.0 106.518 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -83.7 -10.98 57.79 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 118.117 2.636 . . . . 10.0 118.117 -174.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -98.45 -92.54 0.25 Allowed 'General case' 0 C--N 1.351 0.637 1 C-N-CA 109.48 -4.888 . . . . 10.0 111.661 -175.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -106.98 -81.65 0.55 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 118.158 -1.417 . . . . 10.0 112.336 174.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 53.4 ttt180 -109.3 -57.22 2.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 122.632 1.206 . . . . 10.0 109.782 176.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -159.91 153.05 21.88 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 112.733 -2.03 . . . . 10.0 108.843 -177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -99.81 1.97 43.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.198 0.523 . . . . 10.0 110.566 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 6.5 mp -62.28 -21.97 65.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.193 -0.912 . . . . 10.0 112.816 -179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -107.56 -26.51 10.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.726 0.298 . . . . 10.0 111.277 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -79.2 -63.5 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.894 0.378 . . . . 10.0 111.508 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -67.65 -61.98 1.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.814 -0.63 . . . . 10.0 111.365 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.75 -175.99 3.01 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.436 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -92.33 124.99 36.79 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.5 -0.556 . . . . 10.0 109.5 179.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -73.8 163.98 27.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.875 0.369 . . . . 10.0 110.517 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.644 -0.693 . . . . 10.0 110.15 -179.541 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 . . . . . 0 N--CA 1.482 1.147 0 CA-C-O 120.938 0.399 . . . . 10.0 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.5 m -118.9 173.94 4.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 10.0 111.503 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -78.22 -36.12 47.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.79 -0.641 . . . . 10.0 111.201 -178.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -102.65 -166.89 1.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.434 -0.348 . . . . 10.0 110.152 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.0 m -152.71 116.52 4.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.655 0.264 . . . . 10.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 mp0 -103.34 75.72 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.363 -0.38 . . . . 10.0 110.618 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -135.7 136.63 41.02 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.246 -0.279 . . . . 10.0 110.246 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.5 m -113.03 126.38 55.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.463 0.649 . . . . 10.0 111.408 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.7 mmt -98.86 168.59 10.02 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.931 -1.031 . . . . 10.0 110.506 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -61.4 -50.32 73.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.601 0.239 . . . . 10.0 110.729 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.22 -52.23 0.47 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.51 -1.328 . . . . 10.0 114.517 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.7 p -101.53 -4.83 26.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 117.723 0.762 . . . . 10.0 112.905 -177.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.94 -6.72 47.15 Favored Glycine 0 CA--C 1.522 0.525 0 C-N-CA 120.59 -0.814 . . . . 10.0 112.914 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -57.34 -29.72 64.22 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 112.092 0.404 . . . . 10.0 112.092 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -115.96 20.73 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.457 . . . . 10.0 111.185 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -83.4 119.96 25.29 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.179 -0.464 . . . . 10.0 109.842 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -120.78 69.21 0.88 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.949 -0.76 . . . . 10.0 108.949 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.78 170.07 23.73 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.766 -0.731 . . . . 10.0 113.427 -178.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -101.11 38.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.252 0.549 . . . . 10.0 110.718 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.2 tt -90.37 120.68 39.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.803 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -121.82 13.11 10.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.404 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -129.1 150.95 50.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.172 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.5 p -94.46 -170.6 2.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.054 -0.521 . . . . 10.0 109.671 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -78.06 -24.57 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.605 -0.438 . . . . 10.0 110.041 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -94.67 25.39 4.04 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.468 0.544 . . . . 10.0 112.468 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.51 -0.76 16.8 Favored Glycine 0 C--N 1.336 0.535 0 C-N-CA 120.173 -1.013 . . . . 10.0 115.351 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HB3' HG21 ' A' ' 70' ' ' THR . 52.9 mt -66.15 126.12 27.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 117.437 0.619 . . . . 10.0 111.458 -178.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -80.91 129.52 34.57 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.295 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.682 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 44.5 t -73.86 134.75 43.33 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.588 0.709 . . . . 10.0 112.804 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -76.95 142.39 40.05 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.513 -1.221 . . . . 10.0 109.882 178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.406 ' HB3' ' CB ' ' A' ' 34' ' ' SER . . . -65.19 129.91 41.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.869 0.366 . . . . 10.0 110.593 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -58.03 -51.84 67.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.557 -0.747 . . . . 10.0 112.492 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -79.3 6.25 10.43 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.943 0.72 . . . . 10.0 112.943 -179.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' CB ' ' HB3' ' A' ' 31' ' ' ALA . 13.8 t -100.65 133.15 45.53 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.889 0.376 . . . . 10.0 111.111 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -81.26 92.29 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.701 0.762 . . . . 10.0 109.759 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.83 155.65 41.43 Favored Pre-proline 0 C--N 1.315 -0.932 0 CA-C-N 114.877 -1.056 . . . . 10.0 109.86 -179.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -43.73 -27.88 1.71 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 123.465 2.776 . . . . 10.0 112.328 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -90.85 107.17 19.02 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.613 -0.884 . . . . 10.0 108.613 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.72 146.65 54.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.574 -0.284 . . . . 10.0 110.772 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -145.74 142.6 29.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.5 0.667 . . . . 10.0 110.829 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.92 4.67 71.9 Favored Glycine 0 CA--C 1.52 0.354 0 CA-C-N 115.114 -0.948 . . . . 10.0 113.92 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -99.1 63.18 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.345 0.573 . . . . 10.0 111.855 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.44 HG22 ' H ' ' A' ' 45' ' ' SER . 30.3 mm -73.54 129.59 85.27 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.994 -0.548 . . . . 10.0 110.274 179.16 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.08 -24.37 32.59 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.489 2.792 . . . . 10.0 113.997 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.44 ' H ' HG22 ' A' ' 43' ' ' ILE . 2.0 m -68.77 -9.47 51.07 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.653 -0.249 . . . . 10.0 111.586 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' B' ' 101' ' ' GLY . 23.6 mtpt -89.91 -53.2 4.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.597 -0.274 . . . . 10.0 111.231 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -121.16 84.83 40.67 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-O 120.795 0.331 . . . . 10.0 111.294 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -79.46 -8.33 14.93 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.385 2.057 . . . . 10.0 112.221 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.5 p-10 -76.06 -12.66 60.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.647 -0.706 . . . . 10.0 111.779 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -97.03 -2.81 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.701 0.286 . . . . 10.0 110.847 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 59.1 t30 63.31 58.96 1.31 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mp -80.86 89.63 5.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.504 -0.771 . . . . 10.0 109.685 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -128.0 153.92 46.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.087 0.47 . . . . 10.0 112.083 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 56.7 -118.43 1.17 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.069 -0.969 . . . . 10.0 112.615 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 30.5 p-10 -148.24 35.96 0.82 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.693 0.758 . . . . 10.0 109.686 -178.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -82.49 154.45 25.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.967 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.1 t -82.05 120.3 25.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.845 -179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 26.4 mmt85 -136.23 167.13 21.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.829 0.347 . . . . 10.0 111.134 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -112.2 97.31 38.66 Favored Pre-proline 0 C--N 1.326 -0.446 0 N-CA-C 108.589 -0.893 . . . . 10.0 108.589 178.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -92.32 -15.25 1.22 Allowed 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.635 2.223 . . . . 10.0 115.284 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.585 ' OD2' ' HG ' ' B' ' 112' ' ' LEU . 14.7 t70 -103.41 -10.97 18.17 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 118.718 0.69 . . . . 10.0 112.59 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.457 ' HB2' ' O ' ' A' ' 61' ' ' ASP . 60.5 mtm180 74.25 21.98 2.34 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 121.599 0.714 . . . . 10.0 109.207 -177.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -73.79 -161.56 0.11 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.345 -1.298 . . . . 10.0 111.993 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mp -48.78 -48.33 41.17 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.126 0.787 . . . . 10.0 113.126 -177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.574 ' NH1' ' HA ' ' A' ' 81' ' ' ASP . 11.6 ptp180 -168.63 163.3 8.19 Favored Pre-proline 0 C--N 1.323 -0.545 0 C-N-CA 120.714 -0.394 . . . . 10.0 111.376 -179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.93 147.38 33.14 Favored 'Trans proline' 0 C--N 1.351 0.709 0 C-N-CA 122.571 2.181 . . . . 10.0 112.543 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 49.9 p-90 -154.33 167.02 31.37 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.416 -0.811 . . . . 10.0 109.234 -178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.682 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 5.9 p -157.44 163.39 38.56 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.864 0.364 . . . . 10.0 110.851 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -78.39 155.61 29.91 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.53 -0.759 . . . . 10.0 109.436 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.416 HG21 ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -130.01 149.09 51.89 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.138 0.494 . . . . 10.0 111.785 -176.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.3 p -79.5 27.84 0.26 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.436 -0.802 . . . . 10.0 112.133 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.45 119.7 47.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 N-CA-C 109.883 -0.414 . . . . 10.0 109.883 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.98 -16.08 8.46 Favored 'Trans proline' 0 N--CA 1.481 0.746 0 C-N-CA 123.784 2.989 . . . . 10.0 115.087 -178.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -104.18 -22.45 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.134 -0.354 . . . . 10.0 111.277 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -122.44 96.36 5.01 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.426 ' HE ' ' CD ' ' B' ' 126' ' ' GLU . 49.8 mtt180 -65.17 -37.27 86.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.05 -0.523 . . . . 10.0 111.229 -178.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 52.0 p-90 -156.41 163.25 39.68 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.84 -0.618 . . . . 10.0 109.342 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -154.79 161.69 41.39 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.277 -0.42 . . . . 10.0 111.403 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.492 ' HB3' ' HD2' ' A' ' 65' ' ' ARG . 76.5 m-85 -90.65 139.89 30.29 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.104 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -106.5 136.76 45.7 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.772 0.32 . . . . 10.0 110.236 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.574 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 27.3 t70 -88.35 113.86 24.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.972 0.415 . . . . 10.0 111.821 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 29.9 mt -124.99 133.03 24.45 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.465 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.22 129.72 6.15 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.567 2.844 . . . . 10.0 114.304 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 -102.64 154.25 19.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.615 -0.721 . . . . 10.0 110.204 179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -91.5 125.67 36.32 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.824 0.345 . . . . 10.0 111.054 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.05 -67.21 0.88 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.155 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.164 0 CA-C-O 118.27 -0.871 . . . . 10.0 109.496 179.047 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . 0.508 ' HA3' ' HG2' ' B' ' 104' ' ' GLU . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 112.306 -0.318 . . . . 10.0 112.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.17 -52.49 3.99 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 113.032 0.752 . . . . 10.0 113.032 -178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 34.8 m -104.12 -10.09 9.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 112.749 0.648 . . . . 10.0 112.749 -178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.508 ' HG2' ' HA3' ' B' ' 101' ' ' GLY . 3.7 pt-20 -71.82 -33.56 68.61 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.201 -0.2 . . . . 10.0 111.461 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . 0.458 ' HG3' ' H ' ' B' ' 105' ' ' LYS . 0.0 OUTLIER -78.49 143.99 36.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 179.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 6.2 mp -94.56 116.06 28.32 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.21 -0.45 . . . . 10.0 111.732 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . 0.4 HG22 ' H ' ' B' ' 110' ' ' ALA . 3.0 m 62.48 96.73 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.759 -0.655 . . . . 10.0 112.12 178.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.89 -43.01 85.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.586 . . . . 10.0 111.465 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -60.3 -46.47 89.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.82 -0.627 . . . . 10.0 112.213 -179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . 0.4 ' H ' HG22 ' B' ' 107' ' ' THR . . . -64.98 -40.53 95.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.002 0.429 . . . . 10.0 111.107 -178.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.64 -41.71 79.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.921 -0.582 . . . . 10.0 110.523 -179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.585 ' HG ' ' OD2' ' A' ' 61' ' ' ASP . 10.3 tp -67.49 -35.06 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.488 . . . . 10.0 110.728 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -68.02 -41.68 81.82 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.594 -0.521 . . . . 10.0 109.594 178.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' B' ' 118' ' ' GLU . 21.4 mmt180 -67.69 -36.4 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.243 179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.74 -33.21 74.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.479 0.657 . . . . 10.0 109.612 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . 0.46 ' O ' ' HB3' ' B' ' 120' ' ' HIS . 36.2 tttt -66.5 -39.08 88.51 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.436 -0.802 . . . . 10.0 108.903 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -69.66 -23.71 63.51 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.075 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' B' ' 114' ' ' ARG . 23.2 mm-40 -78.38 -45.84 21.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.586 -0.734 . . . . 10.0 110.078 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . . . . . . . . . 30.8 mtm105 -70.69 -34.53 72.07 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.395 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' B' ' 116' ' ' LYS . 0.0 OUTLIER -61.31 -49.3 77.55 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.852 -0.613 . . . . 10.0 109.998 179.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -71.23 -19.92 62.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.026 0.441 . . . . 10.0 110.199 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -77.13 -52.53 9.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.848 -0.615 . . . . 10.0 110.579 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.45 -39.65 88.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 10.0 111.194 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' B' ' 120' ' ' HIS . 3.3 mt-10 -72.4 -23.48 61.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.692 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 125' ' ' LEU . 12.1 mt -76.69 -38.41 54.5 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.911 -0.774 . . . . 10.0 108.911 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.426 ' CD ' ' HE ' ' A' ' 76' ' ' ARG . 6.3 mm-40 -63.77 -28.11 69.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.661 . . . . 10.0 109.518 178.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -64.36 -39.59 94.18 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.577 178.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.9 mp -76.48 -28.45 56.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.019 -0.537 . . . . 10.0 109.736 178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -61.2 -33.42 73.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.18 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -54.35 -27.77 38.41 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.024 -0.534 . . . . 10.0 111.411 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.442 ' OE1' ' HG3' ' B' ' 138' ' ' LYS . 78.9 mt-10 -66.09 -19.52 65.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.387 -0.369 . . . . 10.0 111.465 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.98 -32.42 70.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.833 0.349 . . . . 10.0 110.399 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.96 -56.4 22.79 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.694 -0.685 . . . . 10.0 110.452 179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -133.47 129.71 37.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 10.0 109.887 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -75.85 -18.51 59.42 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -70.41 -41.35 73.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 10.0 110.754 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -76.41 -6.11 50.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.356 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . 0.442 ' HG3' ' OE1' ' B' ' 131' ' ' GLU . 62.2 tttp -65.91 -16.75 64.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.188 0.518 . . . . 10.0 110.598 -179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.52 -42.76 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.268 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . 0.439 ' O ' ' HB3' ' B' ' 143' ' ' LYS . . . -82.22 -48.67 10.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.564 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.14 -48.96 61.69 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.354 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 26.7 mtm180 -49.92 -12.46 0.08 Allowed 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.606 1.335 . . . . 10.0 114.606 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' B' ' 140' ' ' ALA . 1.7 pttp -47.9 -19.35 0.23 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.392 0.515 . . . . 10.0 112.392 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.59 -35.51 54.29 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 120.678 0.275 . . . . 10.0 110.726 178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.7 mp -55.36 -38.71 69.15 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 116.044 -0.526 . . . . 10.0 110.841 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -65.2 -40.29 93.99 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.306 0.574 . . . . 10.0 109.937 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -58.26 -39.58 79.57 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.461 -0.79 . . . . 10.0 110.878 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 43.0 tttp -77.85 -11.06 59.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.589 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 27.3 mt -76.61 -10.74 59.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.62 -0.264 . . . . 10.0 111.394 -179.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -80.93 -77.45 0.2 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.717 0.294 . . . . 10.0 110.854 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -158.86 -157.48 0.61 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.369 -0.604 . . . . 10.0 109.369 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 13.9 p90 . . . . . 0 C--O 1.247 0.939 0 CA-C-O 118.197 -0.906 . . . . 10.0 110.219 179.312 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 47.5 p90 . . . . . 0 N--CA 1.479 1.009 0 N-CA-C 110.05 -0.352 . . . . 10.0 110.05 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.3 m -105.12 -177.97 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.885 0.374 . . . . 10.0 110.878 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -84.35 139.91 31.95 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.342 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -111.72 139.08 47.48 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -123.44 131.95 53.79 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -113.53 -9.77 13.24 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.71 0.263 . . . . 10.0 111.71 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.49 166.78 4.85 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.702 0.287 . . . . 10.0 110.743 179.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.3 m -105.82 126.29 51.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.561 0.696 . . . . 10.0 110.954 -179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 26.2 mmt -96.07 168.98 10.28 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.943 -1.026 . . . . 10.0 111.287 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.1 t60 -69.02 -50.36 49.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.219 -179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 160.54 -58.96 0.31 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 119.533 -1.318 . . . . 10.0 114.592 179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 t -101.11 -2.04 32.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 117.466 0.633 . . . . 10.0 112.271 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.56 -10.5 23.28 Favored Glycine 0 CA--C 1.521 0.439 0 C-N-CA 120.596 -0.812 . . . . 10.0 113.803 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' HA ' ' HB3' ' A' ' 59' ' ' ASN . 1.2 tt0 -61.42 -39.96 92.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.928 0.394 . . . . 10.0 111.446 -179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -92.64 17.78 9.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.996 0.426 . . . . 10.0 111.113 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -99.86 131.87 45.57 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.828 -0.349 . . . . 10.0 110.802 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -128.25 78.27 1.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.95 -0.759 . . . . 10.0 108.95 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.75 163.77 14.57 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.673 -0.775 . . . . 10.0 112.745 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.4 mttt -86.34 47.91 1.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.187 0.518 . . . . 10.0 111.035 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.0 tt -96.48 113.06 29.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.895 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.93 2.31 13.49 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.186 0.517 . . . . 10.0 110.737 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -113.29 149.28 34.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.114 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.713 ' HA ' ' SG ' ' A' ' 80' ' ' CYS . 34.4 p -98.03 176.28 5.82 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.561 -0.533 . . . . 10.0 109.561 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.92 -30.31 70.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.889 0.376 . . . . 10.0 110.513 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.2 m -89.82 24.73 2.28 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.485 0.92 . . . . 10.0 113.485 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.8 -4.09 8.19 Favored Glycine 0 C--N 1.338 0.654 0 N-CA-C 115.968 1.147 . . . . 10.0 115.968 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -78.64 128.92 34.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 117.757 0.778 . . . . 10.0 111.772 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -73.1 136.35 44.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.759 -0.655 . . . . 10.0 111.376 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.573 ' SG ' ' HB2' ' A' ' 68' ' ' CYS . 34.7 t -71.17 140.01 50.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.669 -0.696 . . . . 10.0 111.736 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -76.19 147.97 38.05 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.729 -1.123 . . . . 10.0 109.974 178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.439 ' HB3' ' HB2' ' A' ' 34' ' ' SER . . . -73.0 132.67 43.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.69 0.281 . . . . 10.0 110.625 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -70.29 -53.43 16.85 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.907 0.706 . . . . 10.0 112.907 -178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -71.24 -14.61 62.3 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.201 0.815 . . . . 10.0 113.201 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 31' ' ' ALA . 4.0 m -97.32 130.27 44.51 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.969 0.414 . . . . 10.0 111.62 -178.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -79.79 110.29 15.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.381 0.61 . . . . 10.0 109.677 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.5 m -112.39 155.92 42.96 Favored Pre-proline 0 C--N 1.313 -0.997 0 CA-C-N 115.28 -0.873 . . . . 10.0 109.819 -179.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -32.63 -43.78 0.19 Allowed 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 124.305 3.337 . . . . 10.0 113.414 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -80.65 104.3 11.09 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.147 -1.057 . . . . 10.0 108.147 177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.89 144.09 57.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.837 -0.619 . . . . 10.0 111.204 -178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.7 p-80 -144.18 142.52 30.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.08 0.467 . . . . 10.0 110.275 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.22 1.82 65.07 Favored Glycine 0 C--N 1.32 -0.35 0 CA-C-N 115.485 -0.779 . . . . 10.0 113.323 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.85 64.02 3.37 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.127 0.489 . . . . 10.0 112.03 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 17.3 mm -74.03 129.6 84.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.338 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.61 -28.96 68.05 Favored 'Trans proline' 0 N--CA 1.482 0.813 0 C-N-CA 123.669 2.912 . . . . 10.0 113.848 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.75 -10.66 39.13 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.804 -0.634 . . . . 10.0 112.059 -179.137 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.4 mtpp -87.73 -54.38 4.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.794 -0.184 . . . . 10.0 111.274 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.544 ' CE1' ' HB1' ' B' ' 108' ' ' ALA . 49.8 m-85 -122.0 84.3 44.87 Favored Pre-proline 0 C--O 1.234 0.283 0 CA-C-O 120.8 0.333 . . . . 10.0 111.039 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -74.67 -3.73 14.32 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.596 2.198 . . . . 10.0 112.276 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -77.98 -10.77 59.75 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.373 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -103.02 2.57 35.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.702 0.287 . . . . 10.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 64.3 t30 54.61 62.1 2.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 115.711 -0.677 . . . . 10.0 111.793 179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.9 mp -81.29 91.61 6.25 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.178 -0.675 . . . . 10.0 109.178 179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -123.89 149.44 45.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 55.01 -110.16 0.54 Allowed 'General case' 0 C--O 1.235 0.291 0 CA-C-N 114.873 -1.058 . . . . 10.0 112.609 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -151.27 36.01 0.59 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.595 0.712 . . . . 10.0 109.6 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -79.84 151.55 30.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.632 -0.713 . . . . 10.0 111.012 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.5 t -84.68 127.76 34.26 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.788 -0.642 . . . . 10.0 109.492 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -152.62 173.86 14.69 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.888 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.515 HD21 ' CG ' ' A' ' 63' ' ' ASP . 10.8 t-20 -119.85 94.94 48.97 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 121.056 0.455 . . . . 10.0 110.219 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -94.38 -8.2 1.84 Allowed 'Trans proline' 0 N--CA 1.451 -0.972 0 C-N-CA 122.598 2.199 . . . . 10.0 114.103 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -99.25 -6.74 27.51 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 121.948 -0.47 . . . . 10.0 112.211 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 77.5 mtm180 68.89 22.83 6.99 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 121.254 0.55 . . . . 10.0 111.182 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.515 ' CG ' HD21 ' A' ' 59' ' ' ASN . 4.3 p30 -75.07 -158.13 0.07 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.668 -0.696 . . . . 10.0 111.337 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.3 mp -57.36 -47.94 80.32 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HB2' ' HD2' ' A' ' 66' ' ' PRO . 33.2 ptt180 -170.94 159.4 5.47 Favored Pre-proline 0 N--CA 1.468 0.465 0 N-CA-C 112.094 0.405 . . . . 10.0 112.094 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.429 ' HD2' ' HB2' ' A' ' 65' ' ' ARG . 93.7 Cg_exo -45.28 142.79 5.86 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 123.903 3.069 . . . . 10.0 114.728 -179.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -157.84 168.91 25.85 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.426 -1.261 . . . . 10.0 108.162 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.573 ' HB2' ' SG ' ' A' ' 29' ' ' CYS . 7.0 p -163.19 163.31 25.62 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.643 -0.423 . . . . 10.0 111.552 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -76.82 156.18 32.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.613 -0.721 . . . . 10.0 109.206 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -127.14 146.08 50.52 Favored 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.676 -0.409 . . . . 10.0 111.042 -177.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.8 p -79.34 36.89 0.31 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 10.0 112.068 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.81 127.85 26.43 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 110.392 -0.225 . . . . 10.0 110.392 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.65 -13.99 33.21 Favored 'Trans proline' 0 C--N 1.348 0.525 0 C-N-CA 123.012 2.475 . . . . 10.0 114.217 -178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.3 p-10 -99.84 -26.6 13.97 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.772 -0.371 . . . . 10.0 111.165 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -123.25 106.37 10.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.501 -0.318 . . . . 10.0 110.694 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 35.3 mtt180 -64.17 -38.43 91.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.737 0.303 . . . . 10.0 110.547 179.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.49 ' HZ2' ' HB2' ' B' ' 123' ' ' ALA . 60.0 p-90 -153.17 163.83 39.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.077 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -146.65 166.56 26.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.222 0.534 . . . . 10.0 111.695 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -100.38 146.31 27.13 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.092 -0.958 . . . . 10.0 111.536 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.713 ' SG ' ' HA ' ' A' ' 23' ' ' THR . 3.4 m -117.1 129.51 56.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.738 178.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -87.47 117.7 26.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 10.0 110.894 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 65.9 mt -121.56 130.08 24.94 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.367 -0.833 . . . . 10.0 109.211 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -47.63 135.68 21.55 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.273 2.649 . . . . 10.0 113.347 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -98.28 154.55 17.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.142 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.5 t -73.7 165.42 25.14 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.002 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -72.47 119.0 16.08 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.414 -0.357 . . . . 10.0 110.78 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.345 -0.836 . . . . 10.0 110.407 -179.672 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.671 0 N-CA-C 111.533 -0.627 . . . . 10.0 111.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.08 -22.81 63.01 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 10.0 111.684 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' VAL . . . . . . . . . . . . . 22.0 t -84.38 -58.36 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.129 0.49 . . . . 10.0 109.793 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' GLU . . . . . 0.478 ' CD ' ' H ' ' B' ' 104' ' ' GLU . 0.2 OUTLIER -81.21 89.73 6.04 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.525 -0.761 . . . . 10.0 109.833 179.4 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LYS . . . . . . . . . . . . . 21.8 pttm -132.8 31.06 3.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.413 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 63.0 mt -73.29 140.84 47.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.672 -179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.08 49.93 16.43 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.211 0.529 . . . . 10.0 110.488 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 47' ' ' PHE . . . -56.78 -44.07 81.49 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.297 -0.865 . . . . 10.0 112.486 -178.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.09 -45.72 90.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.779 0.323 . . . . 10.0 111.404 -179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.6 -36.74 81.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.042 0.449 . . . . 10.0 110.502 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.75 -52.67 63.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.455 -0.793 . . . . 10.0 110.173 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.421 HD13 ' CE2' ' A' ' 47' ' ' PHE . 11.5 tp -62.87 -38.82 92.4 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.516 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -64.69 -43.98 91.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.369 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -66.94 -37.15 83.77 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.802 -0.444 . . . . 10.0 109.802 179.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LEU . . . . . 0.421 ' O ' ' HG3' ' B' ' 119' ' ' ARG . 51.3 mt -59.62 -39.14 83.3 Favored 'General case' 0 N--CA 1.461 0.107 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 177.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' LYS . . . . . . . . . . . . . 9.0 tttp -61.82 -40.91 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.204 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -65.88 -29.3 69.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.264 -0.88 . . . . 10.0 110.555 179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -75.25 -41.26 57.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.188 -0.671 . . . . 10.0 109.188 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' B' ' 115' ' ' LEU . 3.1 mtm105 -66.53 -28.98 68.97 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.271 179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -59.92 -49.76 76.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.543 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -67.81 -20.37 65.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.543 -0.753 . . . . 10.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' B' ' 126' ' ' GLU . 36.5 tt0 -77.75 -50.56 12.12 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.722 -0.473 . . . . 10.0 109.722 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ALA . . . . . 0.49 ' HB2' ' HZ2' ' A' ' 77' ' ' TRP . . . -60.16 -46.23 90.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.566 -0.743 . . . . 10.0 111.829 -179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -67.48 -27.56 67.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.237 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' B' ' 125' ' ' LEU . 12.1 mt -75.44 -37.82 60.14 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 -179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 122' ' ' GLU . 6.9 mm-40 -60.01 -30.76 69.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.323 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.08 -43.5 98.37 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.49 -0.559 . . . . 10.0 109.49 178.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.9 -33.05 71.68 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.626 -0.509 . . . . 10.0 109.626 179.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.34 -35.17 75.03 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.719 -0.673 . . . . 10.0 109.697 178.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 6.7 m -62.65 -39.33 93.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.711 -0.677 . . . . 10.0 109.982 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' GLU . . . . . 0.457 ' HB3' ' HD2' ' B' ' 138' ' ' LYS . 74.3 mt-10 -71.83 -35.19 69.82 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.234 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.17 92.96 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.648 -0.501 . . . . 10.0 109.648 179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -59.79 -53.12 61.69 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.255 -0.884 . . . . 10.0 110.963 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -109.56 108.68 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.845 0.355 . . . . 10.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -64.37 -22.87 67.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.856 -0.611 . . . . 10.0 112.059 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.11 -55.52 13.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.048 0.451 . . . . 10.0 110.192 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -57.73 -41.22 81.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.393 -0.821 . . . . 10.0 110.852 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 138' ' ' LYS . . . . . 0.457 ' HD2' ' HB3' ' B' ' 131' ' ' GLU . 1.1 tttp -50.22 -47.16 54.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.985 -0.552 . . . . 10.0 112.012 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -74.7 -41.02 60.98 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 122.354 -0.216 . . . . 10.0 111.288 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 140' ' ' ALA . . . . . . . . . . . . . . . -56.0 -45.26 79.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.758 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 141' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.63 -15.71 61.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.402 -0.363 . . . . 10.0 111.662 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 142' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -89.14 -39.79 13.35 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.863 -0.421 . . . . 10.0 109.863 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 143' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? -43.23 -48.17 6.54 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 114.991 -1.004 . . . . 10.0 112.268 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 144' ' ' ALA . . . . . . . . . . . . . . . -52.83 -37.5 60.12 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.33 0.493 . . . . 10.0 112.33 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 145' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.38 -34.59 70.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.738 0.304 . . . . 10.0 110.745 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 146' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -66.38 -27.82 68.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.915 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 147' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -80.61 -45.08 17.88 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 148' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.03 -66.15 0.57 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.703 -1.135 . . . . 10.0 111.035 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 149' ' ' LEU . . . . . . . . . . . . . 21.1 tp -95.88 70.94 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.221 0.534 . . . . 10.0 110.607 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ALA . . . . . . . . . . . . . . . -97.41 127.57 43.48 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.316 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 151' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -116.09 171.96 7.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.13 0.49 . . . . 10.0 111.124 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 152' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 C--O 1.245 0.837 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.635 179.419 . . . . . . . . 0 0 . 1 stop_ save_