data_2j5h_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2j5h _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.5 p -177.46 -175.37 0.54 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.586 1.155 . . . . 0.0 110.8 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.57 -132.13 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.149 1.833 . . . . 0.0 111.754 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -170.83 -145.31 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -159.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.2 153.85 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 127.624 2.369 . . . . 0.0 104.745 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -153.0 -169.31 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -176.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.53 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 6.8 p-80 169.01 70.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 1 C-N-CA 131.921 4.088 . . . . 0.0 105.207 -171.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.529 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -68.52 81.51 0.21 Allowed Glycine 0 C--N 1.337 0.636 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 167.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.06 -55.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.015 1.726 . . . . 0.0 110.044 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.261 1.2 p-90 48.52 172.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.053 2.541 . . . . 0.0 114.505 -165.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.92 -168.4 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 CA-C-N 114.311 -1.313 . . . . 0.0 107.713 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.86 71.8 6.41 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 CA-C-N 122.878 2.064 . . . . 0.0 110.588 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -136.83 153.1 50.88 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 121.521 -0.737 . . . . 0.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.28 74.0 1.5 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.251 1.421 . . . . 0.0 109.228 -173.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.17 141.97 25.71 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.529 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 14.6 m 84.39 142.44 0.06 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.875 2.07 . . . . 0.0 110.834 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.7 -165.18 1.9 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.878 0.871 . . . . 0.0 109.494 -171.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.47 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 61.9 m -142.48 -171.23 3.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 128.628 2.771 . . . . 0.0 107.332 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -134.83 179.55 6.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 157.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.52 100.93 6.89 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.21 159.61 34.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -61.22 -11.95 11.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.22 1.808 . . . . 0.0 114.831 -172.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.83 33.29 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.433 1.016 . . . . 0.0 111.112 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -145.44 134.93 23.2 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 57.75 100.67 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.743 1.617 . . . . 0.0 112.179 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -74.08 -88.61 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.624 -0.673 . . . . 0.0 109.864 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.82 115.97 6.96 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.67 1.188 . . . . 0.0 109.239 -172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -153.92 155.79 31.5 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 126.611 1.964 . . . . 0.0 108.595 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.56 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.365 2.71 . . . . 0.0 110.413 170.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 69.82 67.9 0.23 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.705 1.602 . . . . 0.0 109.511 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.292 0.4 OUTLIER 51.52 20.39 1.03 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.13 2.172 . . . . 0.0 114.408 -177.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -49.72 -38.08 31.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.339 1.455 . . . . 0.0 113.565 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 tp -149.49 97.76 3.5 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-O 118.099 -0.953 . . . . 0.0 108.497 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.71 69.45 2.86 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.778 2.985 . . . . 0.0 111.995 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.46 9.73 0.03 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.288 1.899 . . . . 0.0 112.48 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -168.12 73.9 0.11 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 CA--C 1.541 0.602 0 C-N-CA 124.334 1.053 . . . . 0.0 110.176 -170.721 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -159.84 102.86 1.5 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.66 113.12 1.49 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -139.75 24.92 2.39 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.417 0.608 . . . . 0.0 112.485 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mm -50.3 147.75 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 128.492 2.717 . . . . 0.0 110.925 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 5.5 tp -150.77 -169.2 3.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.48 1.112 . . . . 0.0 110.517 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.44 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 7.5 p80 146.4 62.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 131.431 3.892 . . . . 0.0 108.356 -153.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.546 ' H ' ' CB ' ' A' ' 18' ' ' SER . . . -76.86 30.9 1.52 Allowed Glycine 0 CA--C 1.534 1.255 0 O-C-N 120.609 -1.307 . . . . 0.0 112.648 177.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -150.83 153.01 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.003 1.321 . . . . 0.0 108.713 -153.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -83.48 168.58 16.36 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.095 1.358 . . . . 0.0 111.708 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.38 172.83 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.181 0.992 . . . . 0.0 109.833 -150.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.05 80.22 2.49 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.22 1.28 . . . . 0.0 109.233 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt 73.3 175.2 0.27 Allowed 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 108.638 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttm 174.73 -45.66 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 129.235 3.014 . . . . 0.0 106.705 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -156.22 108.98 2.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.546 ' CB ' ' H ' ' A' ' 10' ' ' GLY . 70.2 m 125.31 115.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.53 3.532 . . . . 0.0 108.233 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.03 177.0 11.82 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 166.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.442 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 3.7 t -160.8 -170.39 2.72 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.531 1.533 . . . . 0.0 108.437 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -134.13 -175.57 3.9 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.651 1.18 . . . . 0.0 111.022 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.41 98.41 4.86 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.28 2.632 . . . . 0.0 104.969 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -150.05 164.45 35.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -81.77 75.42 8.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.459 0.704 . . . . 0.0 110.912 -174.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.34 -0.91 6.05 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.318 0.961 . . . . 0.0 113.972 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 34.99 68.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.578 2.351 . . . . 0.0 116.644 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 10.8 -87.32 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.886 2.875 . . . . 0.0 113.172 154.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -149.14 168.35 23.45 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.347 1.859 . . . . 0.0 106.084 146.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.5 m -67.87 168.41 11.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 157.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -144.39 119.65 6.04 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.534 1.134 . . . . 0.0 108.268 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.19 -32.69 16.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 121.324 1.349 . . . . 0.0 112.094 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.529 ' CD ' ' H ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -160.16 -70.88 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.09 1.756 . . . . 0.0 106.856 157.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.529 ' H ' ' CD ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -111.02 -16.8 13.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.443 1.497 . . . . 0.0 111.843 -174.161 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.2 t80 48.49 56.09 8.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.509 1.524 . . . . 0.0 111.863 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mt -141.57 -63.44 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.173 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 163.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -65.14 141.19 68.49 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 144.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.31 -31.12 66.32 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -157.02 75.26 0.82 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -168.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 CA--C 1.535 0.373 0 C-N-CA 124.544 1.138 . . . . 0.0 110.512 171.044 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -132.75 -128.06 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.803 1.241 . . . . 0.0 108.979 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.64 -161.38 35.09 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 -168.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -165.14 -167.68 1.24 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.127 1.771 . . . . 0.0 107.381 -163.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 mm -114.42 158.45 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 127.989 2.516 . . . . 0.0 110.244 -163.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 2.1 tp -152.72 -172.51 4.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.105 2.162 . . . . 0.0 107.645 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.58 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -163.23 9.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.901 2.88 . . . . 0.0 111.89 -175.103 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 18' ' ' SER . . . 60.32 -80.58 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 126.547 2.023 . . . . 0.0 111.418 -171.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -60.91 154.37 22.44 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 127.371 2.269 . . . . 0.0 109.564 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -82.38 169.0 16.94 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.574 1.15 . . . . 0.0 111.047 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp 56.64 -179.18 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.07 0.548 . . . . 0.0 109.643 -156.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -75.7 38.24 0.56 Allowed 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.218 1.945 . . . . 0.0 112.083 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -75.76 108.65 8.76 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 120.696 -1.252 . . . . 0.0 108.208 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 86.58 0.06 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.427 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.89 8.63 4.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.65 1.58 . . . . 0.0 113.092 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB3' ' H ' ' A' ' 10' ' ' GLY . 3.6 t -165.69 -178.01 4.63 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 127.051 2.14 . . . . 0.0 106.618 167.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -150.37 -177.26 5.85 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.882 -2.266 . . . . 0.0 104.882 161.369 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.429 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 11.2 t -156.05 163.05 40.16 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.2 mtm-85 -155.73 163.3 40.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.738 1.215 . . . . 0.0 107.747 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -58.4 142.71 47.57 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.44 0.462 . . . . 0.0 111.996 164.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -156.68 171.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.463 0.305 . . . . 0.0 110.52 157.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.02 -30.6 66.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.538 1.135 . . . . 0.0 112.981 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.85 86.6 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.025 -1.431 . . . . 0.0 113.421 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 71.62 123.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.27 2.228 . . . . 0.0 110.004 -166.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 2.22 102.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.97 3.308 . . . . 0.0 118.884 -177.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -79.22 -7.96 58.66 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.467 1.507 . . . . 0.0 114.751 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.9 m 20.16 90.42 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.887 3.275 . . . . 0.0 116.236 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 128.41 12.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -68.26 -61.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.722 2.948 . . . . 0.0 111.1 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 69.1 -52.74 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 130.0 3.32 . . . . 0.0 111.755 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 m -133.74 -4.86 2.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.581 2.352 . . . . 0.0 110.134 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.31 78.2 3.84 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.972 -1.08 . . . . 0.0 112.034 -167.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.75 89.69 0.1 Allowed Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.836 2.454 . . . . 0.0 110.663 -166.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.84 56.69 4.82 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.461 2.774 . . . . 0.0 112.051 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.47 3.85 1.92 Allowed Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.363 1.935 . . . . 0.0 112.682 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.1 t -167.78 76.71 0.15 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -167.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.7 t -123.69 -100.76 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.141 0.977 . . . . 0.0 110.321 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.95 -170.22 12.78 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 119.726 1.148 . . . . 0.0 112.57 -166.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.306 94.7 p -108.56 -126.55 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.591 0.818 . . . . 0.0 111.865 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mm -68.53 158.18 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.259 1.024 . . . . 0.0 110.235 -168.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -151.89 140.07 20.29 Favored 'General case' 0 C--O 1.227 -0.081 0 O-C-N 120.648 -1.282 . . . . 0.0 108.46 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 43.9 53.23 6.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.772 2.429 . . . . 0.0 112.743 166.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.62 39.2 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 90.79 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.399 1.88 . . . . 0.0 108.8 171.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.02 166.78 14.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.44 175.88 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.506 . . . . 0.0 109.269 -147.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.12 83.48 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.851 1.701 . . . . 0.0 110.439 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -109.35 -167.28 1.19 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.874 1.269 . . . . 0.0 110.858 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -68.65 66.24 0.13 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 154.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.3 110.25 1.19 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -30.44 128.69 0.12 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 129.457 3.103 . . . . 0.0 113.429 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -88.86 -59.74 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.239 0.927 . . . . 0.0 112.42 -166.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t 60.21 -175.99 0.11 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.239 1.018 . . . . 0.0 113.151 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -147.15 113.51 5.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.524 1.929 . . . . 0.0 107.37 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.46 143.52 42.58 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 164.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -150.92 -60.53 0.18 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.527 0.731 . . . . 0.0 111.689 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -155.15 20.43 0.43 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.84 3.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -149.02 176.97 9.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.988 1.315 . . . . 0.0 109.611 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt 78.87 118.82 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 129.608 3.163 . . . . 0.0 110.925 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -65.56 -19.9 66.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 117.461 -1.257 . . . . 0.0 111.531 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.6 m 67.52 157.62 0.13 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.889 1.276 . . . . 0.0 111.874 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.1 105.94 3.87 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.488 0.715 . . . . 0.0 109.895 -170.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -87.18 19.29 1.4 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.843 3.695 . . . . 0.0 112.231 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.65 -83.61 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.433 1.893 . . . . 0.0 109.433 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -138.26 1.56 2.22 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.079 0.952 . . . . 0.0 111.011 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.49 -40.64 75.28 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.374 1.07 . . . . 0.0 113.391 -161.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -160.04 106.45 1.41 Allowed Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.891 1.277 . . . . 0.0 107.645 162.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -70.9 172.19 14.24 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.955 2.437 . . . . 0.0 111.34 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.3 5.82 20.82 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 116.079 1.191 . . . . 0.0 116.079 166.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.84 15.68 10.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 165.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 126.311 1.844 . . . . 0.0 113.181 -169.713 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 24' ' ' HIS . 51.7 t-80 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER 65.75 -174.67 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.31 1.444 . . . . 0.0 112.397 170.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.73 128.91 2.08 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -126.0 135.43 51.79 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 165.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.17 160.36 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.391 1.076 . . . . 0.0 108.607 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.57 -104.11 0.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.897 1.679 . . . . 0.0 107.885 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -149.36 -0.32 0.49 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.627 1.171 . . . . 0.0 113.346 -160.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.89 61.88 4.67 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 125.594 1.568 . . . . 0.0 110.207 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m -62.39 63.49 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 129.454 3.101 . . . . 0.0 112.089 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.304 0.0 OUTLIER 55.54 -155.34 0.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.219 1.008 . . . . 0.0 111.042 175.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -28.32 -60.93 0.21 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.229 1.811 . . . . 0.0 111.584 167.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.89 35.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.464 4.776 . . . . 0.0 115.195 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -40.61 142.46 0.44 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.203 1.401 . . . . 0.0 113.817 165.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -107.61 -41.86 4.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 117.193 -1.384 . . . . 0.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.9 t -138.27 -71.29 0.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.045 1.293 . . . . 0.0 112.597 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -155.64 147.91 23.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.839 1.2 . . . . 0.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.15 155.0 27.66 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.55 1.54 . . . . 0.0 110.007 -174.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -151.01 159.53 44.51 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -158.12 178.63 9.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.72 159.68 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.348 -2.094 . . . . 0.0 105.348 154.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -142.23 172.86 12.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . 0.424 ' HA ' ' CB ' ' A' ' 3' ' ' HIS . 1.8 t60 -76.59 50.32 0.67 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.482 1.913 . . . . 0.0 111.116 -171.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.99 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.162 1.363 . . . . 0.0 113.379 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -141.72 164.61 29.75 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.287 1.543 . . . . 0.0 110.387 -175.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 156.05 0.15 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 128.508 2.723 . . . . 0.0 112.454 173.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -138.8 21.23 2.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.365 1.466 . . . . 0.0 112.377 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.1 m 73.47 115.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 128.171 2.589 . . . . 0.0 113.51 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.68 156.63 19.98 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.16 1.384 . . . . 0.0 109.107 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.71 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.52 3.48 . . . . 0.0 110.549 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -164.68 -53.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.977 1.711 . . . . 0.0 109.304 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -120.93 -8.02 9.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.301 1.04 . . . . 0.0 112.317 -173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 t80 61.08 -20.09 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.87 2.868 . . . . 0.0 116.508 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.72 -50.01 75.74 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.947 1.299 . . . . 0.0 112.389 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.33 72.0 6.13 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.492 2.128 . . . . 0.0 109.305 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.44 -30.58 2.11 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.686 2.565 . . . . 0.0 115.583 -166.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -149.97 26.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.741 0.816 . . . . 0.0 111.044 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.267 4.0 p30 . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 130.387 3.475 . . . . 0.0 119.155 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.261 41.0 p-80 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 110.922 -0.029 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.98 86.04 0.71 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.967 0.907 . . . . 0.0 111.418 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 -65.34 2.41 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.175 0.893 . . . . 0.0 111.649 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m 48.21 21.6 0.36 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mt -55.41 149.09 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.582 1.153 . . . . 0.0 108.789 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.96 130.48 35.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 163.45 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.578 2.351 . . . . 0.0 112.296 -174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.19 28.29 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.181 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.02 152.49 41.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.437 1.118 . . . . 0.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -82.26 -170.83 3.11 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.744 1.618 . . . . 0.0 109.775 167.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 15' ' ' LYS . 1.1 tp 60.47 -159.57 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -172.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.85 36.79 0.36 Allowed 'Trans proline' 0 CA--C 1.547 1.154 0 CA-C-N 124.147 2.517 . . . . 0.0 112.739 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 13' ' ' LEU . 8.4 mptt 63.24 175.3 0.16 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.299 2.64 . . . . 0.0 111.072 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.28 -33.77 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 117.034 -1.46 . . . . 0.0 112.039 173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.438 ' C ' ' HG ' ' A' ' 18' ' ' SER . 1.2 m -149.86 167.26 27.08 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.798 1.636 . . . . 0.0 106.719 168.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.438 ' HG ' ' C ' ' A' ' 17' ' ' CYS . 12.1 m -169.72 108.0 0.39 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.481 0.713 . . . . 0.0 111.554 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 tp -159.02 151.18 21.15 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.235 -0.291 . . . . 0.0 110.465 156.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 t -153.22 168.86 24.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 153.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -141.3 122.19 14.49 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 123.582 0.753 . . . . 0.0 110.458 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.97 85.62 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 150.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -106.59 -10.32 16.24 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.993 161.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.81 -42.14 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 130.104 3.362 . . . . 0.0 114.306 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.73 -8.84 87.07 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.541 1.067 . . . . 0.0 111.163 162.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -142.94 153.41 43.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.068 1.434 . . . . 0.0 108.386 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.16 -84.09 0.61 Allowed 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.084 2.554 . . . . 0.0 106.402 163.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 48.65 -75.84 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.696 1.198 . . . . 0.0 109.484 -147.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m 62.25 164.73 0.1 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 126.959 2.104 . . . . 0.0 111.203 -171.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -145.02 62.56 9.21 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 125.004 1.322 . . . . 0.0 109.891 171.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.92 -39.71 23.91 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.558 2.839 . . . . 0.0 108.626 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -134.07 -101.71 0.24 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 157.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -117.21 62.42 0.74 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.023 0.929 . . . . 0.0 108.71 -171.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -68.85 -21.24 64.28 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.098 -0.376 . . . . 0.0 111.088 173.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.1 tp -132.06 141.15 40.41 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 167.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.77 70.31 2.8 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.766 2.977 . . . . 0.0 111.113 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.81 14.71 1.76 Allowed Glycine 0 C--N 1.333 0.414 0 C-N-CA 126.075 1.798 . . . . 0.0 112.863 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.22 58.76 0.65 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 122.174 0.987 . . . . 0.0 109.345 -157.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 124.516 1.127 . . . . 0.0 112.959 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 p -84.7 -173.2 4.59 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.213 -0.929 . . . . 0.0 110.409 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.49 133.25 3.9 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 165.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -118.74 157.56 27.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.011 1.724 . . . . 0.0 107.71 169.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -117.57 155.09 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 8.5 tp -163.89 -172.98 3.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 127.753 2.421 . . . . 0.0 109.081 -175.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.456 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 29.7 p-80 150.69 106.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.138 1 C-N-CA 132.664 4.386 . . . . 0.0 107.217 -167.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . 154.17 105.34 0.25 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -174.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -136.45 112.52 9.7 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 175.32 6.91 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 124.077 0.861 . . . . 0.0 111.602 -176.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.67 -177.91 0.03 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 124.264 1.026 . . . . 0.0 109.277 -156.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.49 66.42 6.44 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 121.863 1.701 . . . . 0.0 109.473 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -63.81 1.1 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 53.12 91.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.797 2.839 . . . . 0.0 112.518 -173.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -165.55 -147.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 29.1 m 89.74 137.49 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 128.379 2.672 . . . . 0.0 111.151 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -149.92 -35.82 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.922 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t 65.33 172.3 0.21 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.547 1.139 . . . . 0.0 112.833 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HE ' ' HG ' ' A' ' 30' ' ' LEU . 7.5 ptp180 -177.44 49.19 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.7 t -3.26 99.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.817 2.447 . . . . 0.0 114.61 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.92 164.64 26.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.282 1.039 . . . . 0.0 110.455 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.97 96.65 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.128 2.171 . . . . 0.0 109.918 163.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 7.83 84.25 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.937 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -146.42 137.96 24.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.63 2.215 . . . . 0.0 109.983 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.15 70.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.325 0.511 . . . . 0.0 112.222 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 25.23 59.62 0.05 Allowed 'General case' 0 C--O 1.239 0.504 0 C-N-CA 130.599 3.559 . . . . 0.0 113.823 168.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.68 164.04 10.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.236 0.541 . . . . 0.0 111.084 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.4 pp -144.71 156.34 56.1 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 154.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 68.1 Cg_endo -102.49 -48.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 115.678 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 100.4 2.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.172 3.389 . . . . 0.0 111.782 -166.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.1 m -65.78 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 159.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.2 t80 58.99 -53.63 0.05 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.669 1.987 . . . . 0.0 113.534 -165.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.407 ' H ' ' HD2' ' A' ' 36' ' ' PRO . 48.8 mt -135.3 -68.56 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.07 1.748 . . . . 0.0 111.267 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 35' ' ' LEU . 88.3 Cg_endo -62.89 151.94 81.64 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 123.936 3.091 . . . . 0.0 108.328 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.06 -39.93 4.07 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 123.72 0.676 . . . . 0.0 112.365 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -175.18 85.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.263 1.025 . . . . 0.0 108.863 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 123.237 0.615 . . . . 0.0 109.805 166.024 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t60 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.89 -85.17 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.54 1.136 . . . . 0.0 111.045 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.53 52.35 7.47 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.844 1.202 . . . . 0.0 113.699 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -94.72 72.49 3.6 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.54 1.67 . . . . 0.0 113.034 -150.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.05 126.05 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 120.908 -1.12 . . . . 0.0 111.546 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -95.59 -54.67 3.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.379 1.472 . . . . 0.0 111.827 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 48.34 29.05 1.81 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 165.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.584 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -143.26 121.4 1.69 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -168.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.06 166.89 24.78 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -170.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -67.42 171.67 5.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.84 0.456 . . . . 0.0 110.277 166.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.78 -169.43 0.01 OUTLIER Pre-proline 0 CA--C 1.554 1.131 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.032 -160.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.93 62.06 5.73 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 CA-C-N 123.262 2.201 . . . . 0.0 110.703 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 pttt 48.92 172.03 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 131.019 3.728 . . . . 0.0 114.985 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -133.9 18.58 3.82 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.01 1.724 . . . . 0.0 110.349 166.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 t 60.89 51.45 4.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.312 1.845 . . . . 0.0 112.962 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.584 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 53.9 m -30.65 117.9 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.87 2.868 . . . . 0.0 115.373 174.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.82 111.34 7.0 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.178 0.99 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.8 t -145.0 162.19 37.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 151.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -172.6 171.75 4.45 Favored 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.767 4.027 . . . . 0.0 102.905 173.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 t -151.12 104.08 3.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.428 ' C ' ' H ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -81.47 86.78 6.27 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.9 -18.48 0.05 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.977 2.511 . . . . 0.0 115.037 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 23' ' ' TRP . . . 167.5 -21.17 0.1 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 128.209 2.814 . . . . 0.0 111.353 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.12 169.1 17.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.84 1.32 . . . . 0.0 110.919 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt 69.08 -166.8 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.141 2.176 . . . . 0.0 110.703 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 174.4 175.01 0.17 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 130.064 3.346 . . . . 0.0 107.008 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.39 130.23 39.69 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.07 0.548 . . . . 0.0 110.299 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.3 mt -149.34 76.95 9.12 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 124.705 1.202 . . . . 0.0 109.615 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.32 12.24 1.61 Allowed 'Trans proline' 0 CA--C 1.539 0.768 1 C-N-CA 125.57 4.18 . . . . 0.0 113.124 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -73.74 37.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.562 2.745 . . . . 0.0 110.622 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.314 0.5 OUTLIER 52.9 -61.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 129.924 3.289 . . . . 0.0 112.801 -160.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 t80 47.57 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.479 3.111 . . . . 0.0 113.624 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -139.53 73.13 36.16 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.785 1.634 . . . . 0.0 106.971 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.61 65.73 8.62 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.895 3.063 . . . . 0.0 113.085 -155.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.02 86.77 Favored Glycine 0 C--N 1.334 0.458 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.5 t 61.16 11.43 3.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 125.018 1.327 . . . . 0.0 110.702 -175.355 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.28 44.42 2.97 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.934 0.894 . . . . 0.0 111.329 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.12 -134.72 6.28 Favored Glycine 0 C--N 1.341 0.843 0 CA-C-O 119.046 -0.864 . . . . 0.0 112.273 -171.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 178.06 157.34 0.42 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.652 1.581 . . . . 0.0 107.783 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.78 134.18 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 162.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -144.78 -111.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.155 1.782 . . . . 0.0 107.539 -175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 19.9 m170 -144.37 154.32 42.88 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.697 1.59 . . . . 0.0 108.046 -151.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.58 -100.11 0.13 Allowed Glycine 0 C--N 1.334 0.429 0 O-C-N 120.797 -1.189 . . . . 0.0 110.877 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m 75.65 -35.22 0.26 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.099 1.76 . . . . 0.0 111.79 170.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 63.95 165.36 0.14 Allowed 'General case' 0 C--N 1.341 0.196 0 C-N-CA 131.466 3.906 . . . . 0.0 114.784 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.43 -173.17 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.23 -158.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.18 82.02 1.64 Allowed 'Trans proline' 0 CA--C 1.538 0.703 0 CA-C-N 122.036 1.763 . . . . 0.0 110.099 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -82.1 0.41 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.214 1.006 . . . . 0.0 111.674 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.33 -62.98 0.34 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.141 -1.409 . . . . 0.0 109.589 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 25.2 p -156.69 163.65 39.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 120.216 1.371 . . . . 0.0 107.906 171.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 p -138.52 147.92 43.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.247 1.019 . . . . 0.0 111.64 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt 168.21 105.11 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 128.362 2.665 . . . . 0.0 110.332 -169.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 132.87 49.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.375 -1.298 . . . . 0.0 107.977 152.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -139.85 165.57 26.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 131.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 133.6 35.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -82.52 176.59 9.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.573 -1.329 . . . . 0.0 111.609 -170.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -77.68 52.7 1.03 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.528 1.531 . . . . 0.0 111.297 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.18 -15.33 0.41 Allowed Glycine 0 C--N 1.335 0.518 0 CA-C-O 118.311 -1.272 . . . . 0.0 114.906 165.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -153.31 156.42 38.35 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.403 -2.444 . . . . 0.0 104.403 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -66.92 0.32 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.834 -170.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 38.13 62.21 0.99 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.472 1.509 . . . . 0.0 112.664 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.38 126.91 14.14 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 174.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.74 135.49 0.26 Allowed Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 171.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.51 4.19 4.17 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 121.644 1.563 . . . . 0.0 112.511 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.15 -97.5 0.14 Allowed 'General case' 0 C--N 1.346 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.661 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -71.53 81.48 0.81 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.062 0.945 . . . . 0.0 109.909 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.26 25.77 0.99 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.784 -170.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -44.97 -51.19 23.9 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.489 168.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.78 100.71 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.154 1.236 . . . . 0.0 109.692 167.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.92 -45.69 0.64 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.81 75.15 0.53 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.829 0.823 . . . . 0.0 109.489 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 N--CA 1.463 0.224 0 C-N-CA 129.175 2.99 . . . . 0.0 113.279 170.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m80 . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.98 156.96 13.58 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 166.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.53 130.82 2.08 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.614 2.054 . . . . 0.0 109.273 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -145.54 150.81 37.11 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 120.156 1.978 . . . . 0.0 106.871 162.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.45 149.79 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.817 1.647 . . . . 0.0 107.373 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.94 -48.35 1.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.239 1.415 . . . . 0.0 111.74 -163.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER 70.94 20.75 5.25 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 120.371 1.441 . . . . 0.0 113.039 176.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.32 68.42 0.54 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.77 154.41 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 159.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.13 175.27 5.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.429 0.156 . . . . 0.0 110.582 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.26 32.6 mt 57.31 -156.91 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.239 0 CA-C-O 117.137 -1.411 . . . . 0.0 107.367 -166.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.46 31.66 0.38 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 CA-C-N 124.447 2.624 . . . . 0.0 113.635 -173.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 48.31 175.65 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 130.329 3.452 . . . . 0.0 113.827 -166.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -143.39 38.3 1.39 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.6 m 93.39 -36.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.752 2.821 . . . . 0.0 109.738 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 9' ' ' HIS 0.334 2.2 p -139.74 155.96 47.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.611 1.672 . . . . 0.0 113.711 169.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 tp -124.28 165.23 18.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 103.443 -2.799 . . . . 0.0 103.443 137.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m 66.09 144.14 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 128.139 2.576 . . . . 0.0 115.972 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -148.86 -171.02 3.77 Favored 'General case' 0 N--CA 1.446 -0.632 1 C-N-CA 135.168 5.387 . . . . 0.0 101.675 165.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 t -120.84 150.39 41.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 150.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -75.55 2.44 11.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.17 0.588 . . . . 0.0 110.829 167.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 78.65 -39.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 129.001 2.92 . . . . 0.0 112.221 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.4 -6.13 36.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.099 1.333 . . . . 0.0 113.248 170.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -147.79 152.36 37.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 127.168 2.187 . . . . 0.0 105.134 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -68.53 0.36 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.065 0.393 . . . . 0.0 110.375 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 59.34 -57.34 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.813 2.445 . . . . 0.0 113.941 -167.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m 57.5 128.52 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.726 2.01 . . . . 0.0 111.828 -159.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.97 158.25 31.12 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 159.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.21 -28.9 27.42 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.107 3.205 . . . . 0.0 114.095 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 66.5 -43.52 0.41 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 130.89 3.676 . . . . 0.0 112.324 -171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 m -74.68 72.67 1.99 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.17 -69.59 0.47 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.177 0.591 . . . . 0.0 110.058 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -56.22 0.21 Allowed Pre-proline 0 CA--C 1.542 0.646 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.12 -173.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -80.44 165.67 20.61 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 CA-C-N 121.252 1.483 . . . . 0.0 111.295 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.29 -27.45 1.22 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.485 1.517 . . . . 0.0 114.588 167.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -167.36 74.05 0.13 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.579 1.152 . . . . 0.0 108.113 -172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 128.126 2.57 . . . . 0.0 113.308 163.446 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.88 70.57 2.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -145.88 156.98 43.91 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.621 1.168 . . . . 0.0 109.644 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -132.16 22.44 4.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 125.284 1.434 . . . . 0.0 110.52 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 31.5 p -177.46 -175.37 0.54 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.586 1.155 . . . . 0.0 110.8 172.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.57 -132.13 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.149 1.833 . . . . 0.0 111.754 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -170.83 -145.31 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -159.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.2 153.85 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 127.624 2.369 . . . . 0.0 104.745 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.53 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -153.0 -169.31 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -176.132 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.53 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 6.8 p-80 169.01 70.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 1 C-N-CA 131.921 4.088 . . . . 0.0 105.207 -171.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.529 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -68.52 81.51 0.21 Allowed Glycine 0 C--N 1.337 0.636 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 167.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.06 -55.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.015 1.726 . . . . 0.0 110.044 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.261 1.2 p-90 48.52 172.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.053 2.541 . . . . 0.0 114.505 -165.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.92 -168.4 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 CA-C-N 114.311 -1.313 . . . . 0.0 107.713 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.86 71.8 6.41 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 CA-C-N 122.878 2.064 . . . . 0.0 110.588 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -136.83 153.1 50.88 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 121.521 -0.737 . . . . 0.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.28 74.0 1.5 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.251 1.421 . . . . 0.0 109.228 -173.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.17 141.97 25.71 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.529 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 14.6 m 84.39 142.44 0.06 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.875 2.07 . . . . 0.0 110.834 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.7 -165.18 1.9 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.878 0.871 . . . . 0.0 109.494 -171.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 61.9 m -142.48 -171.23 3.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 128.628 2.771 . . . . 0.0 107.332 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -134.83 179.55 6.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 157.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -124.52 100.93 6.89 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.21 159.61 34.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -61.22 -11.95 11.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.22 1.808 . . . . 0.0 114.831 -172.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.83 33.29 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.433 1.016 . . . . 0.0 111.112 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -145.44 134.93 23.2 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 57.75 100.67 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.743 1.617 . . . . 0.0 112.179 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -74.08 -88.61 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.624 -0.673 . . . . 0.0 109.864 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 64.1 m -146.82 115.97 6.96 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.67 1.188 . . . . 0.0 109.239 -172.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -153.92 155.79 31.5 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 126.611 1.964 . . . . 0.0 108.595 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.56 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.365 2.71 . . . . 0.0 110.413 170.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 69.82 67.9 0.23 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.705 1.602 . . . . 0.0 109.511 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.292 0.4 OUTLIER 51.52 20.39 1.03 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.13 2.172 . . . . 0.0 114.408 -177.623 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -49.72 -38.08 31.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.339 1.455 . . . . 0.0 113.565 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 tp -149.49 97.76 3.5 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-O 118.099 -0.953 . . . . 0.0 108.497 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.71 69.45 2.86 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.778 2.985 . . . . 0.0 111.995 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.46 9.73 0.03 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.288 1.899 . . . . 0.0 112.48 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -168.12 73.9 0.11 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 58.29 -162.67 0.22 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.334 1.053 . . . . 0.0 110.176 -170.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 O-C-N 120.52 -1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.038 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 32.83 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.927 1.691 . . . . 0.0 114.211 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -49.06 -65.34 0.58 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.025 2.53 . . . . 0.0 112.919 -165.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 46.57 30.05 1.04 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.395 1.478 . . . . 0.0 113.912 -171.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -159.84 102.86 1.5 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.66 113.12 1.49 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -139.75 24.92 2.39 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.417 0.608 . . . . 0.0 112.485 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mm -50.3 147.75 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 128.492 2.717 . . . . 0.0 110.925 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 5.5 tp -150.77 -169.2 3.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.48 1.112 . . . . 0.0 110.517 -164.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.44 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 7.5 p80 146.4 62.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 131.431 3.892 . . . . 0.0 108.356 -153.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.546 ' H ' ' CB ' ' A' ' 18' ' ' SER . . . -76.86 30.9 1.52 Allowed Glycine 0 CA--C 1.534 1.255 0 O-C-N 120.609 -1.307 . . . . 0.0 112.648 177.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -150.83 153.01 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.003 1.321 . . . . 0.0 108.713 -153.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -83.48 168.58 16.36 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.095 1.358 . . . . 0.0 111.708 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.38 172.83 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.181 0.992 . . . . 0.0 109.833 -150.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.05 80.22 2.49 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.22 1.28 . . . . 0.0 109.233 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt 73.3 175.2 0.27 Allowed 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 108.638 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttm 174.73 -45.66 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 129.235 3.014 . . . . 0.0 106.705 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -156.22 108.98 2.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.546 ' CB ' ' H ' ' A' ' 10' ' ' GLY . 70.2 m 125.31 115.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.53 3.532 . . . . 0.0 108.233 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.03 177.0 11.82 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 166.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.442 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 3.7 t -160.8 -170.39 2.72 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.531 1.533 . . . . 0.0 108.437 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -134.13 -175.57 3.9 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.651 1.18 . . . . 0.0 111.022 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.41 98.41 4.86 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.28 2.632 . . . . 0.0 104.969 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -150.05 164.45 35.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -81.77 75.42 8.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.459 0.704 . . . . 0.0 110.912 -174.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.34 -0.91 6.05 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.318 0.961 . . . . 0.0 113.972 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 34.99 68.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.578 2.351 . . . . 0.0 116.644 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 10.8 -87.32 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.886 2.875 . . . . 0.0 113.172 154.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -149.14 168.35 23.45 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.347 1.859 . . . . 0.0 106.084 146.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.5 m -67.87 168.41 11.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 157.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -144.39 119.65 6.04 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.534 1.134 . . . . 0.0 108.268 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.19 -32.69 16.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 121.324 1.349 . . . . 0.0 112.094 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.529 ' CD ' ' H ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -160.16 -70.88 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.09 1.756 . . . . 0.0 106.856 157.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.529 ' H ' ' CD ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -111.02 -16.8 13.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.443 1.497 . . . . 0.0 111.843 -174.161 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.2 t80 48.49 56.09 8.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.509 1.524 . . . . 0.0 111.863 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mt -141.57 -63.44 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.173 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 163.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -65.14 141.19 68.49 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 144.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.31 -31.12 66.32 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -157.02 75.26 0.82 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -168.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -57.2 100.25 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.544 1.138 . . . . 0.0 110.512 171.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 O-C-N 121.527 -0.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.122 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.0 60.98 1.11 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.06 1.344 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -71.81 47.88 0.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 113.128 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.1 35.01 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -132.75 -128.06 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.803 1.241 . . . . 0.0 108.979 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 168.64 -161.38 35.09 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 -168.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -165.14 -167.68 1.24 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.127 1.771 . . . . 0.0 107.381 -163.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 mm -114.42 158.45 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 127.989 2.516 . . . . 0.0 110.244 -163.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 2.1 tp -152.72 -172.51 4.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.105 2.162 . . . . 0.0 107.645 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.58 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -163.23 9.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.901 2.88 . . . . 0.0 111.89 -175.103 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' H ' ' HB3' ' A' ' 18' ' ' SER . . . 60.32 -80.58 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 126.547 2.023 . . . . 0.0 111.418 -171.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -60.91 154.37 22.44 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 127.371 2.269 . . . . 0.0 109.564 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -82.38 169.0 16.94 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.574 1.15 . . . . 0.0 111.047 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp 56.64 -179.18 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.07 0.548 . . . . 0.0 109.643 -156.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -75.7 38.24 0.56 Allowed 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.218 1.945 . . . . 0.0 112.083 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -75.76 108.65 8.76 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 120.696 -1.252 . . . . 0.0 108.208 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 86.58 0.06 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.427 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.89 8.63 4.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.65 1.58 . . . . 0.0 113.092 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB3' ' H ' ' A' ' 10' ' ' GLY . 3.6 t -165.69 -178.01 4.63 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 127.051 2.14 . . . . 0.0 106.618 167.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.429 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -150.37 -177.26 5.85 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.882 -2.266 . . . . 0.0 104.882 161.369 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.429 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 11.2 t -156.05 163.05 40.16 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.2 mtm-85 -155.73 163.3 40.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.738 1.215 . . . . 0.0 107.747 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 89.8 m -58.4 142.71 47.57 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.44 0.462 . . . . 0.0 111.996 164.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -156.68 171.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.463 0.305 . . . . 0.0 110.52 157.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.02 -30.6 66.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.538 1.135 . . . . 0.0 112.981 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.85 86.6 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.025 -1.431 . . . . 0.0 113.421 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 71.62 123.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.27 2.228 . . . . 0.0 110.004 -166.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.415 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 2.22 102.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.97 3.308 . . . . 0.0 118.884 -177.703 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -79.22 -7.96 58.66 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.467 1.507 . . . . 0.0 114.751 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 58.9 m 20.16 90.42 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.887 3.275 . . . . 0.0 116.236 -173.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 128.41 12.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -68.26 -61.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.722 2.948 . . . . 0.0 111.1 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 69.1 -52.74 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 130.0 3.32 . . . . 0.0 111.755 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 m -133.74 -4.86 2.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.581 2.352 . . . . 0.0 110.134 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.31 78.2 3.84 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.972 -1.08 . . . . 0.0 112.034 -167.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.75 89.69 0.1 Allowed Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.836 2.454 . . . . 0.0 110.663 -166.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.84 56.69 4.82 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.461 2.774 . . . . 0.0 112.051 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.47 3.85 1.92 Allowed Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.363 1.935 . . . . 0.0 112.682 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.1 t -167.78 76.71 0.15 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -167.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.46 -12.24 59.82 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.14 0 O-C-N 120.519 -1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.71 159.89 16.12 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.59 0.356 . . . . 0.0 110.055 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . 33.61 -114.09 0.06 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.513 2.325 . . . . 0.0 110.78 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -130.15 57.73 1.69 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 160.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.7 t -123.69 -100.76 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.141 0.977 . . . . 0.0 110.321 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.95 -170.22 12.78 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 119.726 1.148 . . . . 0.0 112.57 -166.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.306 94.7 p -108.56 -126.55 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.591 0.818 . . . . 0.0 111.865 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mm -68.53 158.18 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.259 1.024 . . . . 0.0 110.235 -168.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -151.89 140.07 20.29 Favored 'General case' 0 C--O 1.227 -0.081 0 O-C-N 120.648 -1.282 . . . . 0.0 108.46 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 43.9 53.23 6.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.772 2.429 . . . . 0.0 112.743 166.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.62 39.2 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 90.79 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.399 1.88 . . . . 0.0 108.8 171.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.02 166.78 14.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.44 175.88 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.506 . . . . 0.0 109.269 -147.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.12 83.48 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.851 1.701 . . . . 0.0 110.439 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -109.35 -167.28 1.19 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.874 1.269 . . . . 0.0 110.858 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -68.65 66.24 0.13 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 154.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.3 110.25 1.19 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -30.44 128.69 0.12 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 129.457 3.103 . . . . 0.0 113.429 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -88.86 -59.74 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.239 0.927 . . . . 0.0 112.42 -166.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t 60.21 -175.99 0.11 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.239 1.018 . . . . 0.0 113.151 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -147.15 113.51 5.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.524 1.929 . . . . 0.0 107.37 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.46 143.52 42.58 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 164.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -150.92 -60.53 0.18 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.527 0.731 . . . . 0.0 111.689 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -155.15 20.43 0.43 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.84 3.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -149.02 176.97 9.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.988 1.315 . . . . 0.0 109.611 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt 78.87 118.82 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 129.608 3.163 . . . . 0.0 110.925 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -65.56 -19.9 66.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 117.461 -1.257 . . . . 0.0 111.531 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.6 m 67.52 157.62 0.13 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.889 1.276 . . . . 0.0 111.874 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.1 105.94 3.87 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.488 0.715 . . . . 0.0 109.895 -170.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -87.18 19.29 1.4 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.843 3.695 . . . . 0.0 112.231 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.65 -83.61 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.433 1.893 . . . . 0.0 109.433 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -138.26 1.56 2.22 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.079 0.952 . . . . 0.0 111.011 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.49 -40.64 75.28 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.374 1.07 . . . . 0.0 113.391 -161.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -160.04 106.45 1.41 Allowed Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.891 1.277 . . . . 0.0 107.645 162.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -70.9 172.19 14.24 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.955 2.437 . . . . 0.0 111.34 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.3 5.82 20.82 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 116.079 1.191 . . . . 0.0 116.079 166.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.84 15.68 10.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 165.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -43.47 124.97 3.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.311 1.844 . . . . 0.0 113.181 -169.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 121.678 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.229 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 1.67 4.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -73.79 -89.35 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.334 1.854 . . . . 0.0 109.628 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.424 ' CB ' ' HA ' ' A' ' 24' ' ' HIS . 51.7 t-80 57.97 97.44 0.02 OUTLIER 'General case' 0 C--N 1.346 0.454 0 C-N-CA 126.358 1.863 . . . . 0.0 111.762 -158.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER 65.75 -174.67 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.31 1.444 . . . . 0.0 112.397 170.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.73 128.91 2.08 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -126.0 135.43 51.79 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 165.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.17 160.36 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.391 1.076 . . . . 0.0 108.607 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.57 -104.11 0.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.897 1.679 . . . . 0.0 107.885 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -149.36 -0.32 0.49 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.627 1.171 . . . . 0.0 113.346 -160.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.89 61.88 4.67 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 125.594 1.568 . . . . 0.0 110.207 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m -62.39 63.49 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 129.454 3.101 . . . . 0.0 112.089 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.304 0.0 OUTLIER 55.54 -155.34 0.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.219 1.008 . . . . 0.0 111.042 175.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -28.32 -60.93 0.21 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.229 1.811 . . . . 0.0 111.584 167.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.89 35.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.464 4.776 . . . . 0.0 115.195 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -40.61 142.46 0.44 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.203 1.401 . . . . 0.0 113.817 165.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -107.61 -41.86 4.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 117.193 -1.384 . . . . 0.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.9 t -138.27 -71.29 0.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.045 1.293 . . . . 0.0 112.597 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -155.64 147.91 23.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.839 1.2 . . . . 0.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.15 155.0 27.66 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.55 1.54 . . . . 0.0 110.007 -174.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -151.01 159.53 44.51 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -158.12 178.63 9.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.72 159.68 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.348 -2.094 . . . . 0.0 105.348 154.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -142.23 172.86 12.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.424 ' HA ' ' CB ' ' A' ' 3' ' ' HIS . 1.8 t60 -76.59 50.32 0.67 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.482 1.913 . . . . 0.0 111.116 -171.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.99 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.162 1.363 . . . . 0.0 113.379 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -141.72 164.61 29.75 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.287 1.543 . . . . 0.0 110.387 -175.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.44 156.05 0.15 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 128.508 2.723 . . . . 0.0 112.454 173.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -138.8 21.23 2.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.365 1.466 . . . . 0.0 112.377 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.1 m 73.47 115.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 128.171 2.589 . . . . 0.0 113.51 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.68 156.63 19.98 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.16 1.384 . . . . 0.0 109.107 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.71 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.52 3.48 . . . . 0.0 110.549 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -164.68 -53.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.977 1.711 . . . . 0.0 109.304 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -120.93 -8.02 9.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.301 1.04 . . . . 0.0 112.317 -173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 t80 61.08 -20.09 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.87 2.868 . . . . 0.0 116.508 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.72 -50.01 75.74 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.947 1.299 . . . . 0.0 112.389 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.33 72.0 6.13 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.492 2.128 . . . . 0.0 109.305 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.44 -30.58 2.11 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.686 2.565 . . . . 0.0 115.583 -166.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -149.97 26.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.741 0.816 . . . . 0.0 111.044 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.267 4.0 p30 46.96 -11.41 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 130.387 3.475 . . . . 0.0 119.155 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 121.185 1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.66 165.73 11.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.362 1.065 . . . . 0.0 108.199 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -60.05 -16.82 34.48 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.916 1.286 . . . . 0.0 113.418 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.261 41.0 p-80 46.15 -125.65 1.37 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.318 1.447 . . . . 0.0 110.922 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.98 86.04 0.71 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.967 0.907 . . . . 0.0 111.418 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 -65.34 2.41 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.175 0.893 . . . . 0.0 111.649 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m 48.21 21.6 0.36 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mt -55.41 149.09 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.582 1.153 . . . . 0.0 108.789 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.96 130.48 35.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 163.45 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.578 2.351 . . . . 0.0 112.296 -174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.19 28.29 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.181 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.02 152.49 41.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.437 1.118 . . . . 0.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -82.26 -170.83 3.11 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.744 1.618 . . . . 0.0 109.775 167.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' C ' ' H ' ' A' ' 15' ' ' LYS . 1.1 tp 60.47 -159.57 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -172.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.85 36.79 0.36 Allowed 'Trans proline' 0 CA--C 1.547 1.154 0 CA-C-N 124.147 2.517 . . . . 0.0 112.739 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' H ' ' C ' ' A' ' 13' ' ' LEU . 8.4 mptt 63.24 175.3 0.16 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.299 2.64 . . . . 0.0 111.072 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.28 -33.77 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 117.034 -1.46 . . . . 0.0 112.039 173.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.438 ' C ' ' HG ' ' A' ' 18' ' ' SER . 1.2 m -149.86 167.26 27.08 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.798 1.636 . . . . 0.0 106.719 168.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.438 ' HG ' ' C ' ' A' ' 17' ' ' CYS . 12.1 m -169.72 108.0 0.39 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.481 0.713 . . . . 0.0 111.554 174.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 tp -159.02 151.18 21.15 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.235 -0.291 . . . . 0.0 110.465 156.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 t -153.22 168.86 24.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 153.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -141.3 122.19 14.49 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 123.582 0.753 . . . . 0.0 110.458 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.97 85.62 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 150.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -106.59 -10.32 16.24 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.993 161.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.81 -42.14 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 130.104 3.362 . . . . 0.0 114.306 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.73 -8.84 87.07 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.541 1.067 . . . . 0.0 111.163 162.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -142.94 153.41 43.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.068 1.434 . . . . 0.0 108.386 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.16 -84.09 0.61 Allowed 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.084 2.554 . . . . 0.0 106.402 163.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 48.65 -75.84 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.696 1.198 . . . . 0.0 109.484 -147.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m 62.25 164.73 0.1 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 126.959 2.104 . . . . 0.0 111.203 -171.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -145.02 62.56 9.21 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 125.004 1.322 . . . . 0.0 109.891 171.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.92 -39.71 23.91 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.558 2.839 . . . . 0.0 108.626 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -134.07 -101.71 0.24 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 157.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -117.21 62.42 0.74 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.023 0.929 . . . . 0.0 108.71 -171.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -68.85 -21.24 64.28 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.098 -0.376 . . . . 0.0 111.088 173.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.1 tp -132.06 141.15 40.41 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 167.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.77 70.31 2.8 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.766 2.977 . . . . 0.0 111.113 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.81 14.71 1.76 Allowed Glycine 0 C--N 1.333 0.414 0 C-N-CA 126.075 1.798 . . . . 0.0 112.863 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.22 58.76 0.65 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 122.174 0.987 . . . . 0.0 109.345 -157.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.9 -9.39 37.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.516 1.127 . . . . 0.0 112.959 174.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 O-C-N 121.261 -0.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.38 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -65.62 -65.11 0.72 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.716 1.606 . . . . 0.0 110.571 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 m80 67.9 -177.67 0.21 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 0.0 108.788 -166.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 p -84.7 -173.2 4.59 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.213 -0.929 . . . . 0.0 110.409 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.49 133.25 3.9 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 165.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -118.74 157.56 27.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.011 1.724 . . . . 0.0 107.71 169.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -117.57 155.09 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 8.5 tp -163.89 -172.98 3.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 127.753 2.421 . . . . 0.0 109.081 -175.607 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.456 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 29.7 p-80 150.69 106.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.138 1 C-N-CA 132.664 4.386 . . . . 0.0 107.217 -167.579 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . 154.17 105.34 0.25 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -174.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -136.45 112.52 9.7 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 175.32 6.91 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 124.077 0.861 . . . . 0.0 111.602 -176.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.67 -177.91 0.03 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 124.264 1.026 . . . . 0.0 109.277 -156.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.49 66.42 6.44 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 121.863 1.701 . . . . 0.0 109.473 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -63.81 1.1 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 53.12 91.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.797 2.839 . . . . 0.0 112.518 -173.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -165.55 -147.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.429 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 29.1 m 89.74 137.49 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 128.379 2.672 . . . . 0.0 111.151 176.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -149.92 -35.82 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.922 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t 65.33 172.3 0.21 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.547 1.139 . . . . 0.0 112.833 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.416 ' HE ' ' HG ' ' A' ' 30' ' ' LEU . 7.5 ptp180 -177.44 49.19 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -175.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.7 t -3.26 99.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.817 2.447 . . . . 0.0 114.61 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.92 164.64 26.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.282 1.039 . . . . 0.0 110.455 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.97 96.65 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.128 2.171 . . . . 0.0 109.918 163.433 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 7.83 84.25 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.937 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -146.42 137.96 24.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.63 2.215 . . . . 0.0 109.983 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.15 70.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.325 0.511 . . . . 0.0 112.222 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 25.23 59.62 0.05 Allowed 'General case' 0 C--O 1.239 0.504 0 C-N-CA 130.599 3.559 . . . . 0.0 113.823 168.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.68 164.04 10.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.236 0.541 . . . . 0.0 111.084 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' HG ' ' HE ' ' A' ' 21' ' ' ARG . 1.4 pp -144.71 156.34 56.1 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 154.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 68.1 Cg_endo -102.49 -48.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 115.678 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 100.4 2.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.172 3.389 . . . . 0.0 111.782 -166.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 51.1 m -65.78 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 159.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.2 t80 58.99 -53.63 0.05 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.669 1.987 . . . . 0.0 113.534 -165.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.407 ' H ' ' HD2' ' A' ' 36' ' ' PRO . 48.8 mt -135.3 -68.56 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.07 1.748 . . . . 0.0 111.267 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HD2' ' H ' ' A' ' 35' ' ' LEU . 88.3 Cg_endo -62.89 151.94 81.64 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 123.936 3.091 . . . . 0.0 108.328 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.06 -39.93 4.07 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 123.72 0.676 . . . . 0.0 112.365 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -175.18 85.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.263 1.025 . . . . 0.0 108.863 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -150.28 -69.64 0.19 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.237 0.615 . . . . 0.0 109.805 166.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.111 0 O-C-N 121.38 -0.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.19 22.57 1.36 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.702 0.801 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -62.03 174.71 0.81 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.965 1.306 . . . . 0.0 112.143 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -133.93 169.16 17.51 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.787 1.635 . . . . 0.0 108.501 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.89 -85.17 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.54 1.136 . . . . 0.0 111.045 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.53 52.35 7.47 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.844 1.202 . . . . 0.0 113.699 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -94.72 72.49 3.6 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.54 1.67 . . . . 0.0 113.034 -150.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.05 126.05 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 120.908 -1.12 . . . . 0.0 111.546 177.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -95.59 -54.67 3.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.379 1.472 . . . . 0.0 111.827 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 48.34 29.05 1.81 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 165.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.584 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -143.26 121.4 1.69 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -168.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.06 166.89 24.78 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -170.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -67.42 171.67 5.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.84 0.456 . . . . 0.0 110.277 166.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.78 -169.43 0.01 OUTLIER Pre-proline 0 CA--C 1.554 1.131 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.032 -160.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.93 62.06 5.73 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 CA-C-N 123.262 2.201 . . . . 0.0 110.703 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 pttt 48.92 172.03 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 131.019 3.728 . . . . 0.0 114.985 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -133.9 18.58 3.82 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.01 1.724 . . . . 0.0 110.349 166.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 t 60.89 51.45 4.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.312 1.845 . . . . 0.0 112.962 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.584 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 53.9 m -30.65 117.9 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.87 2.868 . . . . 0.0 115.373 174.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.82 111.34 7.0 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.178 0.99 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.8 t -145.0 162.19 37.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 151.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -172.6 171.75 4.45 Favored 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.767 4.027 . . . . 0.0 102.905 173.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 t -151.12 104.08 3.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.428 ' C ' ' H ' ' A' ' 25' ' ' GLY . 0.1 OUTLIER -81.47 86.78 6.27 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.335 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.9 -18.48 0.05 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.977 2.511 . . . . 0.0 115.037 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 23' ' ' TRP . . . 167.5 -21.17 0.1 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 128.209 2.814 . . . . 0.0 111.353 -179.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.12 169.1 17.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.84 1.32 . . . . 0.0 110.919 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt 69.08 -166.8 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.141 2.176 . . . . 0.0 110.703 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 174.4 175.01 0.17 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 130.064 3.346 . . . . 0.0 107.008 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.39 130.23 39.69 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.07 0.548 . . . . 0.0 110.299 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.3 mt -149.34 76.95 9.12 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 124.705 1.202 . . . . 0.0 109.615 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.32 12.24 1.61 Allowed 'Trans proline' 0 CA--C 1.539 0.768 1 C-N-CA 125.57 4.18 . . . . 0.0 113.124 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -73.74 37.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.562 2.745 . . . . 0.0 110.622 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.314 0.5 OUTLIER 52.9 -61.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 129.924 3.289 . . . . 0.0 112.801 -160.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 t80 47.57 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.479 3.111 . . . . 0.0 113.624 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -139.53 73.13 36.16 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.785 1.634 . . . . 0.0 106.971 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.61 65.73 8.62 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.895 3.063 . . . . 0.0 113.085 -155.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.02 86.77 Favored Glycine 0 C--N 1.334 0.458 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.5 t 61.16 11.43 3.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.78 83.36 1.18 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.018 1.327 . . . . 0.0 110.702 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 121.54 -0.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.054 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -150.91 0.47 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.727 1.211 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . 60.93 -70.04 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.155 2.982 . . . . 0.0 115.1 168.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 34.74 84.82 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.738 2.815 . . . . 0.0 114.266 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.28 44.42 2.97 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.934 0.894 . . . . 0.0 111.329 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 142.12 -134.72 6.28 Favored Glycine 0 C--N 1.341 0.843 0 CA-C-O 119.046 -0.864 . . . . 0.0 112.273 -171.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 178.06 157.34 0.42 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.652 1.581 . . . . 0.0 107.783 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.78 134.18 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 162.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -144.78 -111.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.155 1.782 . . . . 0.0 107.539 -175.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 19.9 m170 -144.37 154.32 42.88 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.697 1.59 . . . . 0.0 108.046 -151.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.58 -100.11 0.13 Allowed Glycine 0 C--N 1.334 0.429 0 O-C-N 120.797 -1.189 . . . . 0.0 110.877 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m 75.65 -35.22 0.26 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.099 1.76 . . . . 0.0 111.79 170.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 63.95 165.36 0.14 Allowed 'General case' 0 C--N 1.341 0.196 0 C-N-CA 131.466 3.906 . . . . 0.0 114.784 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.43 -173.17 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.23 -158.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.18 82.02 1.64 Allowed 'Trans proline' 0 CA--C 1.538 0.703 0 CA-C-N 122.036 1.763 . . . . 0.0 110.099 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.16 -82.1 0.41 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.214 1.006 . . . . 0.0 111.674 178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.33 -62.98 0.34 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.141 -1.409 . . . . 0.0 109.589 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 25.2 p -156.69 163.65 39.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 120.216 1.371 . . . . 0.0 107.906 171.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 p -138.52 147.92 43.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.247 1.019 . . . . 0.0 111.64 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt 168.21 105.11 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 128.362 2.665 . . . . 0.0 110.332 -169.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 132.87 49.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.375 -1.298 . . . . 0.0 107.977 152.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -139.85 165.57 26.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 131.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 133.6 35.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -82.52 176.59 9.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.573 -1.329 . . . . 0.0 111.609 -170.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -77.68 52.7 1.03 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.528 1.531 . . . . 0.0 111.297 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.18 -15.33 0.41 Allowed Glycine 0 C--N 1.335 0.518 0 CA-C-O 118.311 -1.272 . . . . 0.0 114.906 165.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -153.31 156.42 38.35 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.403 -2.444 . . . . 0.0 104.403 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -66.92 0.32 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.834 -170.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 38.13 62.21 0.99 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.472 1.509 . . . . 0.0 112.664 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.38 126.91 14.14 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 174.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.74 135.49 0.26 Allowed Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 171.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.51 4.19 4.17 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 121.644 1.563 . . . . 0.0 112.511 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.15 -97.5 0.14 Allowed 'General case' 0 C--N 1.346 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.661 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -71.53 81.48 0.81 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.062 0.945 . . . . 0.0 109.909 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.26 25.77 0.99 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.784 -170.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -44.97 -51.19 23.9 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.489 168.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.78 100.71 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.154 1.236 . . . . 0.0 109.692 167.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.92 -45.69 0.64 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.81 75.15 0.53 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.829 0.823 . . . . 0.0 109.489 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 39.77 63.98 0.94 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 129.175 2.99 . . . . 0.0 113.279 170.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 121.887 -0.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.01 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.33 73.58 1.22 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.514 1.126 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -72.8 171.95 11.7 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.889 2.076 . . . . 0.0 110.66 173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -135.05 122.83 22.34 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.98 156.96 13.58 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 166.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.53 130.82 2.08 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.614 2.054 . . . . 0.0 109.273 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -145.54 150.81 37.11 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 120.156 1.978 . . . . 0.0 106.871 162.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.45 149.79 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.817 1.647 . . . . 0.0 107.373 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.94 -48.35 1.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.239 1.415 . . . . 0.0 111.74 -163.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER 70.94 20.75 5.25 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 120.371 1.441 . . . . 0.0 113.039 176.713 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.32 68.42 0.54 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.77 154.41 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 159.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.13 175.27 5.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.429 0.156 . . . . 0.0 110.582 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.26 32.6 mt 57.31 -156.91 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.239 0 CA-C-O 117.137 -1.411 . . . . 0.0 107.367 -166.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.46 31.66 0.38 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 CA-C-N 124.447 2.624 . . . . 0.0 113.635 -173.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 48.31 175.65 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 130.329 3.452 . . . . 0.0 113.827 -166.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 ptmm? -143.39 38.3 1.39 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.6 m 93.39 -36.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.752 2.821 . . . . 0.0 109.738 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HA ' ' HA ' ' A' ' 9' ' ' HIS 0.334 2.2 p -139.74 155.96 47.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.611 1.672 . . . . 0.0 113.711 169.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 tp -124.28 165.23 18.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 103.443 -2.799 . . . . 0.0 103.443 137.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m 66.09 144.14 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 128.139 2.576 . . . . 0.0 115.972 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -148.86 -171.02 3.77 Favored 'General case' 0 N--CA 1.446 -0.632 1 C-N-CA 135.168 5.387 . . . . 0.0 101.675 165.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 t -120.84 150.39 41.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 150.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -75.55 2.44 11.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.17 0.588 . . . . 0.0 110.829 167.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 78.65 -39.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 129.001 2.92 . . . . 0.0 112.221 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.4 -6.13 36.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.099 1.333 . . . . 0.0 113.248 170.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -147.79 152.36 37.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 127.168 2.187 . . . . 0.0 105.134 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -68.53 0.36 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.065 0.393 . . . . 0.0 110.375 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 59.34 -57.34 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.813 2.445 . . . . 0.0 113.941 -167.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m 57.5 128.52 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.726 2.01 . . . . 0.0 111.828 -159.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.97 158.25 31.12 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 159.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.21 -28.9 27.42 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.107 3.205 . . . . 0.0 114.095 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 66.5 -43.52 0.41 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 130.89 3.676 . . . . 0.0 112.324 -171.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 m -74.68 72.67 1.99 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.17 -69.59 0.47 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.177 0.591 . . . . 0.0 110.058 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -56.22 0.21 Allowed Pre-proline 0 CA--C 1.542 0.646 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.12 -173.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -80.44 165.67 20.61 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 CA-C-N 121.252 1.483 . . . . 0.0 111.295 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.29 -27.45 1.22 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.485 1.517 . . . . 0.0 114.588 167.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -167.36 74.05 0.13 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.579 1.152 . . . . 0.0 108.113 -172.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 36.28 60.02 0.9 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 128.126 2.57 . . . . 0.0 113.308 163.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 31.5 p -177.46 -175.37 0.54 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.586 1.155 . . . . 0.0 110.8 172.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.57 -132.13 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.149 1.833 . . . . 0.0 111.754 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -170.83 -145.31 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -159.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.2 153.85 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 127.624 2.369 . . . . 0.0 104.745 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -153.0 -169.31 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -176.132 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.51 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 6.8 p-80 169.01 70.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 1 C-N-CA 131.921 4.088 . . . . 0.0 105.207 -171.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -68.52 81.51 0.21 Allowed Glycine 0 C--N 1.337 0.636 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 167.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.06 -55.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.015 1.726 . . . . 0.0 110.044 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.261 1.2 p-90 48.52 172.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.053 2.541 . . . . 0.0 114.505 -165.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.92 -168.4 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 CA-C-N 114.311 -1.313 . . . . 0.0 107.713 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.86 71.8 6.41 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 CA-C-N 122.878 2.064 . . . . 0.0 110.588 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -136.83 153.1 50.88 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 121.521 -0.737 . . . . 0.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.28 74.0 1.5 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.251 1.421 . . . . 0.0 109.228 -173.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.17 141.97 25.71 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' N ' ' A' ' 10' ' ' GLY . 14.6 m 84.39 142.44 0.06 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.875 2.07 . . . . 0.0 110.834 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.7 -165.18 1.9 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.878 0.871 . . . . 0.0 109.494 -171.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 61.9 m -142.48 -171.23 3.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 128.628 2.771 . . . . 0.0 107.332 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -134.83 179.55 6.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 157.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -124.52 100.93 6.89 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.361 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.21 159.61 34.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -61.22 -11.95 11.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.22 1.808 . . . . 0.0 114.831 -172.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.83 33.29 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.433 1.016 . . . . 0.0 111.112 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -145.44 134.93 23.2 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 57.75 100.67 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.743 1.617 . . . . 0.0 112.179 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -74.08 -88.61 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.624 -0.673 . . . . 0.0 109.864 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 64.1 m -146.82 115.97 6.96 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.67 1.188 . . . . 0.0 109.239 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -153.92 155.79 31.5 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 126.611 1.964 . . . . 0.0 108.595 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.56 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.365 2.71 . . . . 0.0 110.413 170.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 69.82 67.9 0.23 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.705 1.602 . . . . 0.0 109.511 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.292 0.4 OUTLIER 51.52 20.39 1.03 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.13 2.172 . . . . 0.0 114.408 -177.623 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -49.72 -38.08 31.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.339 1.455 . . . . 0.0 113.565 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 tp -149.49 97.76 3.5 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-O 118.099 -0.953 . . . . 0.0 108.497 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.71 69.45 2.86 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.778 2.985 . . . . 0.0 111.995 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.46 9.73 0.03 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.288 1.899 . . . . 0.0 112.48 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -168.12 73.9 0.11 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 CA--C 1.541 0.602 0 C-N-CA 124.334 1.053 . . . . 0.0 110.176 -170.721 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -159.84 102.86 1.5 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.66 113.12 1.49 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -139.75 24.92 2.39 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.417 0.608 . . . . 0.0 112.485 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mm -50.3 147.75 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 128.492 2.717 . . . . 0.0 110.925 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -150.77 -169.2 3.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.48 1.112 . . . . 0.0 110.517 -164.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.5 p80 146.4 62.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 131.431 3.892 . . . . 0.0 108.356 -153.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' H ' ' CB ' ' A' ' 18' ' ' SER . . . -76.86 30.9 1.52 Allowed Glycine 0 CA--C 1.534 1.255 0 O-C-N 120.609 -1.307 . . . . 0.0 112.648 177.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -150.83 153.01 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.003 1.321 . . . . 0.0 108.713 -153.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -83.48 168.58 16.36 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.095 1.358 . . . . 0.0 111.708 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.38 172.83 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.181 0.992 . . . . 0.0 109.833 -150.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.05 80.22 2.49 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.22 1.28 . . . . 0.0 109.233 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt 73.3 175.2 0.27 Allowed 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 108.638 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttm 174.73 -45.66 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 129.235 3.014 . . . . 0.0 106.705 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -156.22 108.98 2.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.537 ' CB ' ' H ' ' A' ' 10' ' ' GLY . 70.2 m 125.31 115.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.53 3.532 . . . . 0.0 108.233 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.03 177.0 11.82 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 166.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.543 ' H ' HD13 ' A' ' 19' ' ' LEU . 3.7 t -160.8 -170.39 2.72 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.531 1.533 . . . . 0.0 108.437 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -134.13 -175.57 3.9 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.651 1.18 . . . . 0.0 111.022 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.41 98.41 4.86 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.28 2.632 . . . . 0.0 104.969 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -150.05 164.45 35.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -81.77 75.42 8.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.459 0.704 . . . . 0.0 110.912 -174.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.34 -0.91 6.05 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.318 0.961 . . . . 0.0 113.972 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 34.99 68.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.578 2.351 . . . . 0.0 116.644 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 10.8 -87.32 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.886 2.875 . . . . 0.0 113.172 154.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -149.14 168.35 23.45 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.347 1.859 . . . . 0.0 106.084 146.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.5 m -67.87 168.41 11.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 157.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -144.39 119.65 6.04 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.534 1.134 . . . . 0.0 108.268 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.19 -32.69 16.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 121.324 1.349 . . . . 0.0 112.094 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.476 ' CD ' ' H ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -160.16 -70.88 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.09 1.756 . . . . 0.0 106.856 157.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.476 ' H ' ' CD ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -111.02 -16.8 13.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.443 1.497 . . . . 0.0 111.843 -174.161 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.2 t80 48.49 56.09 8.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.509 1.524 . . . . 0.0 111.863 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mt -141.57 -63.44 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.173 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 163.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -65.14 141.19 68.49 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 144.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.31 -31.12 66.32 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -157.02 75.26 0.82 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -168.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 CA--C 1.535 0.373 0 C-N-CA 124.544 1.138 . . . . 0.0 110.512 171.044 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -132.75 -128.06 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.803 1.241 . . . . 0.0 108.979 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 168.64 -161.38 35.09 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 -168.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -165.14 -167.68 1.24 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.127 1.771 . . . . 0.0 107.381 -163.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 mm -114.42 158.45 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 127.989 2.516 . . . . 0.0 110.244 -163.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 2.1 tp -152.72 -172.51 4.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.105 2.162 . . . . 0.0 107.645 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.605 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -163.23 9.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.901 2.88 . . . . 0.0 111.89 -175.103 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.32 -80.58 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 126.547 2.023 . . . . 0.0 111.418 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -60.91 154.37 22.44 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 127.371 2.269 . . . . 0.0 109.564 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -82.38 169.0 16.94 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.574 1.15 . . . . 0.0 111.047 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp 56.64 -179.18 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.07 0.548 . . . . 0.0 109.643 -156.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -75.7 38.24 0.56 Allowed 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.218 1.945 . . . . 0.0 112.083 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -75.76 108.65 8.76 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 120.696 -1.252 . . . . 0.0 108.208 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 86.58 0.06 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.427 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.89 8.63 4.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.65 1.58 . . . . 0.0 113.092 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -165.69 -178.01 4.63 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 127.051 2.14 . . . . 0.0 106.618 167.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -150.37 -177.26 5.85 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.882 -2.266 . . . . 0.0 104.882 161.369 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.697 ' H ' HD13 ' A' ' 19' ' ' LEU . 11.2 t -156.05 163.05 40.16 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.2 mtm-85 -155.73 163.3 40.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.738 1.215 . . . . 0.0 107.747 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' HA3' ' A' ' 5' ' ' GLY . 89.8 m -58.4 142.71 47.57 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.44 0.462 . . . . 0.0 111.996 164.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -156.68 171.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.463 0.305 . . . . 0.0 110.52 157.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.02 -30.6 66.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.538 1.135 . . . . 0.0 112.981 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.85 86.6 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.025 -1.431 . . . . 0.0 113.421 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 71.62 123.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.27 2.228 . . . . 0.0 110.004 -166.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 2.22 102.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.97 3.308 . . . . 0.0 118.884 -177.703 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -79.22 -7.96 58.66 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.467 1.507 . . . . 0.0 114.751 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' HD22 ' A' ' 8' ' ' LEU . 58.9 m 20.16 90.42 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.887 3.275 . . . . 0.0 116.236 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 128.41 12.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -68.26 -61.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.722 2.948 . . . . 0.0 111.1 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 69.1 -52.74 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 130.0 3.32 . . . . 0.0 111.755 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 m -133.74 -4.86 2.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.581 2.352 . . . . 0.0 110.134 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.31 78.2 3.84 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.972 -1.08 . . . . 0.0 112.034 -167.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.75 89.69 0.1 Allowed Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.836 2.454 . . . . 0.0 110.663 -166.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.84 56.69 4.82 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.461 2.774 . . . . 0.0 112.051 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.47 3.85 1.92 Allowed Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.363 1.935 . . . . 0.0 112.682 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.1 t -167.78 76.71 0.15 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -167.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.0 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.7 t -123.69 -100.76 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.141 0.977 . . . . 0.0 110.321 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.95 -170.22 12.78 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 119.726 1.148 . . . . 0.0 112.57 -166.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.306 94.7 p -108.56 -126.55 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.591 0.818 . . . . 0.0 111.865 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mm -68.53 158.18 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.259 1.024 . . . . 0.0 110.235 -168.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -151.89 140.07 20.29 Favored 'General case' 0 C--O 1.227 -0.081 0 O-C-N 120.648 -1.282 . . . . 0.0 108.46 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 43.9 53.23 6.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.772 2.429 . . . . 0.0 112.743 166.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.62 39.2 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 90.79 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.399 1.88 . . . . 0.0 108.8 171.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.02 166.78 14.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.44 175.88 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.506 . . . . 0.0 109.269 -147.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.12 83.48 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.851 1.701 . . . . 0.0 110.439 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -109.35 -167.28 1.19 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.874 1.269 . . . . 0.0 110.858 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -68.65 66.24 0.13 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 154.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.3 110.25 1.19 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -30.44 128.69 0.12 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 129.457 3.103 . . . . 0.0 113.429 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -88.86 -59.74 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.239 0.927 . . . . 0.0 112.42 -166.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t 60.21 -175.99 0.11 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.239 1.018 . . . . 0.0 113.151 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -147.15 113.51 5.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.524 1.929 . . . . 0.0 107.37 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.46 143.52 42.58 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 164.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -150.92 -60.53 0.18 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.527 0.731 . . . . 0.0 111.689 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -155.15 20.43 0.43 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.84 3.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -149.02 176.97 9.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.988 1.315 . . . . 0.0 109.611 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt 78.87 118.82 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 129.608 3.163 . . . . 0.0 110.925 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -65.56 -19.9 66.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 117.461 -1.257 . . . . 0.0 111.531 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.6 m 67.52 157.62 0.13 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.889 1.276 . . . . 0.0 111.874 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.1 105.94 3.87 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.488 0.715 . . . . 0.0 109.895 -170.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -87.18 19.29 1.4 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.843 3.695 . . . . 0.0 112.231 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.65 -83.61 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.433 1.893 . . . . 0.0 109.433 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -138.26 1.56 2.22 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.079 0.952 . . . . 0.0 111.011 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.49 -40.64 75.28 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.374 1.07 . . . . 0.0 113.391 -161.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -160.04 106.45 1.41 Allowed Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.891 1.277 . . . . 0.0 107.645 162.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -70.9 172.19 14.24 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.955 2.437 . . . . 0.0 111.34 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.3 5.82 20.82 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 116.079 1.191 . . . . 0.0 116.079 166.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.84 15.68 10.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 165.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 126.311 1.844 . . . . 0.0 113.181 -169.713 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 24' ' ' HIS . 51.7 t-80 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER 65.75 -174.67 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.31 1.444 . . . . 0.0 112.397 170.757 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.73 128.91 2.08 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -126.0 135.43 51.79 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 165.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.17 160.36 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.391 1.076 . . . . 0.0 108.607 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.57 -104.11 0.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.897 1.679 . . . . 0.0 107.885 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -149.36 -0.32 0.49 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.627 1.171 . . . . 0.0 113.346 -160.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.89 61.88 4.67 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 125.594 1.568 . . . . 0.0 110.207 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m -62.39 63.49 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 129.454 3.101 . . . . 0.0 112.089 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.304 0.0 OUTLIER 55.54 -155.34 0.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.219 1.008 . . . . 0.0 111.042 175.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -28.32 -60.93 0.21 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.229 1.811 . . . . 0.0 111.584 167.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.89 35.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.464 4.776 . . . . 0.0 115.195 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -40.61 142.46 0.44 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.203 1.401 . . . . 0.0 113.817 165.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -107.61 -41.86 4.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 117.193 -1.384 . . . . 0.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.9 t -138.27 -71.29 0.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.045 1.293 . . . . 0.0 112.597 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -155.64 147.91 23.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.839 1.2 . . . . 0.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.15 155.0 27.66 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.55 1.54 . . . . 0.0 110.007 -174.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -151.01 159.53 44.51 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -158.12 178.63 9.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.72 159.68 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.348 -2.094 . . . . 0.0 105.348 154.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -142.23 172.86 12.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 1.8 t60 -76.59 50.32 0.67 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.482 1.913 . . . . 0.0 111.116 -171.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.99 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.162 1.363 . . . . 0.0 113.379 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -141.72 164.61 29.75 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.287 1.543 . . . . 0.0 110.387 -175.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER 70.44 156.05 0.15 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 128.508 2.723 . . . . 0.0 112.454 173.352 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.46 ' H ' HD23 ' A' ' 27' ' ' LEU . 37.1 m80 -138.8 21.23 2.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.365 1.466 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.1 m 73.47 115.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 128.171 2.589 . . . . 0.0 113.51 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.68 156.63 19.98 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.16 1.384 . . . . 0.0 109.107 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.71 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.52 3.48 . . . . 0.0 110.549 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -164.68 -53.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.977 1.711 . . . . 0.0 109.304 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -120.93 -8.02 9.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.301 1.04 . . . . 0.0 112.317 -173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 t80 61.08 -20.09 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.87 2.868 . . . . 0.0 116.508 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.72 -50.01 75.74 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.947 1.299 . . . . 0.0 112.389 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.33 72.0 6.13 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.492 2.128 . . . . 0.0 109.305 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.44 -30.58 2.11 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.686 2.565 . . . . 0.0 115.583 -166.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -149.97 26.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.741 0.816 . . . . 0.0 111.044 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.267 4.0 p30 . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 130.387 3.475 . . . . 0.0 119.155 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.261 41.0 p-80 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 110.922 -0.029 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.98 86.04 0.71 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.967 0.907 . . . . 0.0 111.418 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 -65.34 2.41 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.175 0.893 . . . . 0.0 111.649 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m 48.21 21.6 0.36 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mt -55.41 149.09 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.582 1.153 . . . . 0.0 108.789 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.96 130.48 35.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 163.45 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.578 2.351 . . . . 0.0 112.296 -174.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.19 28.29 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.181 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.02 152.49 41.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.437 1.118 . . . . 0.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -82.26 -170.83 3.11 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.744 1.618 . . . . 0.0 109.775 167.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp 60.47 -159.57 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -172.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.85 36.79 0.36 Allowed 'Trans proline' 0 CA--C 1.547 1.154 0 CA-C-N 124.147 2.517 . . . . 0.0 112.739 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 63.24 175.3 0.16 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.299 2.64 . . . . 0.0 111.072 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.28 -33.77 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 117.034 -1.46 . . . . 0.0 112.039 173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -149.86 167.26 27.08 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.798 1.636 . . . . 0.0 106.719 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -169.72 108.0 0.39 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.481 0.713 . . . . 0.0 111.554 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 tp -159.02 151.18 21.15 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.235 -0.291 . . . . 0.0 110.465 156.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 t -153.22 168.86 24.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 153.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -141.3 122.19 14.49 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 123.582 0.753 . . . . 0.0 110.458 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.97 85.62 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 150.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -106.59 -10.32 16.24 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.993 161.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.81 -42.14 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 130.104 3.362 . . . . 0.0 114.306 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.73 -8.84 87.07 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.541 1.067 . . . . 0.0 111.163 162.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -142.94 153.41 43.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.068 1.434 . . . . 0.0 108.386 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.16 -84.09 0.61 Allowed 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.084 2.554 . . . . 0.0 106.402 163.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 48.65 -75.84 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.696 1.198 . . . . 0.0 109.484 -147.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m 62.25 164.73 0.1 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 126.959 2.104 . . . . 0.0 111.203 -171.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -145.02 62.56 9.21 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 125.004 1.322 . . . . 0.0 109.891 171.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.92 -39.71 23.91 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.558 2.839 . . . . 0.0 108.626 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -134.07 -101.71 0.24 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 157.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -117.21 62.42 0.74 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.023 0.929 . . . . 0.0 108.71 -171.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -68.85 -21.24 64.28 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.098 -0.376 . . . . 0.0 111.088 173.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.1 tp -132.06 141.15 40.41 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 167.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.77 70.31 2.8 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.766 2.977 . . . . 0.0 111.113 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.81 14.71 1.76 Allowed Glycine 0 C--N 1.333 0.414 0 C-N-CA 126.075 1.798 . . . . 0.0 112.863 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.22 58.76 0.65 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 122.174 0.987 . . . . 0.0 109.345 -157.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 124.516 1.127 . . . . 0.0 112.959 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 p -84.7 -173.2 4.59 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.213 -0.929 . . . . 0.0 110.409 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.49 133.25 3.9 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 165.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -118.74 157.56 27.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.011 1.724 . . . . 0.0 107.71 169.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -117.57 155.09 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 8.5 tp -163.89 -172.98 3.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 127.753 2.421 . . . . 0.0 109.081 -175.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.462 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 29.7 p-80 150.69 106.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.138 1 C-N-CA 132.664 4.386 . . . . 0.0 107.217 -167.579 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.17 105.34 0.25 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -136.45 112.52 9.7 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 175.32 6.91 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 124.077 0.861 . . . . 0.0 111.602 -176.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.67 -177.91 0.03 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 124.264 1.026 . . . . 0.0 109.277 -156.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.49 66.42 6.44 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 121.863 1.701 . . . . 0.0 109.473 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -63.81 1.1 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 53.12 91.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.797 2.839 . . . . 0.0 112.518 -173.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -165.55 -147.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m 89.74 137.49 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 128.379 2.672 . . . . 0.0 111.151 176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -149.92 -35.82 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.922 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t 65.33 172.3 0.21 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.547 1.139 . . . . 0.0 112.833 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -177.44 49.19 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.7 t -3.26 99.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.817 2.447 . . . . 0.0 114.61 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.92 164.64 26.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.282 1.039 . . . . 0.0 110.455 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.97 96.65 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.128 2.171 . . . . 0.0 109.918 163.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 7.83 84.25 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.937 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -146.42 137.96 24.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.63 2.215 . . . . 0.0 109.983 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.15 70.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.325 0.511 . . . . 0.0 112.222 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 25.23 59.62 0.05 Allowed 'General case' 0 C--O 1.239 0.504 0 C-N-CA 130.599 3.559 . . . . 0.0 113.823 168.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.68 164.04 10.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.236 0.541 . . . . 0.0 111.084 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.71 156.34 56.1 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -102.49 -48.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 115.678 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 100.4 2.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.172 3.389 . . . . 0.0 111.782 -166.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 36' ' ' PRO . 51.1 m -65.78 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 159.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.2 t80 58.99 -53.63 0.05 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.669 1.987 . . . . 0.0 113.534 -165.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' H ' ' HD2' ' A' ' 36' ' ' PRO . 48.8 mt -135.3 -68.56 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.07 1.748 . . . . 0.0 111.267 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 35' ' ' LEU . 88.3 Cg_endo -62.89 151.94 81.64 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 123.936 3.091 . . . . 0.0 108.328 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.06 -39.93 4.07 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 123.72 0.676 . . . . 0.0 112.365 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -175.18 85.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.263 1.025 . . . . 0.0 108.863 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 123.237 0.615 . . . . 0.0 109.805 166.024 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.89 -85.17 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.54 1.136 . . . . 0.0 111.045 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.53 52.35 7.47 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.844 1.202 . . . . 0.0 113.699 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -94.72 72.49 3.6 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.54 1.67 . . . . 0.0 113.034 -150.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.05 126.05 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 120.908 -1.12 . . . . 0.0 111.546 177.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -95.59 -54.67 3.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.379 1.472 . . . . 0.0 111.827 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 48.34 29.05 1.81 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 165.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -143.26 121.4 1.69 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -168.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.06 166.89 24.78 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -170.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -67.42 171.67 5.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.84 0.456 . . . . 0.0 110.277 166.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.78 -169.43 0.01 OUTLIER Pre-proline 0 CA--C 1.554 1.131 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.032 -160.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.93 62.06 5.73 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 CA-C-N 123.262 2.201 . . . . 0.0 110.703 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 pttt 48.92 172.03 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 131.019 3.728 . . . . 0.0 114.985 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -133.9 18.58 3.82 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.01 1.724 . . . . 0.0 110.349 166.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 t 60.89 51.45 4.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.312 1.845 . . . . 0.0 112.962 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.598 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 53.9 m -30.65 117.9 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.87 2.868 . . . . 0.0 115.373 174.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.82 111.34 7.0 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.178 0.99 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.8 t -145.0 162.19 37.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 151.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -172.6 171.75 4.45 Favored 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.767 4.027 . . . . 0.0 102.905 173.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 t -151.12 104.08 3.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.47 86.78 6.27 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.9 -18.48 0.05 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.977 2.511 . . . . 0.0 115.037 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.5 -21.17 0.1 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 128.209 2.814 . . . . 0.0 111.353 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.12 169.1 17.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.84 1.32 . . . . 0.0 110.919 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt 69.08 -166.8 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.141 2.176 . . . . 0.0 110.703 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 174.4 175.01 0.17 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 130.064 3.346 . . . . 0.0 107.008 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.39 130.23 39.69 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.07 0.548 . . . . 0.0 110.299 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.3 mt -149.34 76.95 9.12 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 124.705 1.202 . . . . 0.0 109.615 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.32 12.24 1.61 Allowed 'Trans proline' 0 CA--C 1.539 0.768 1 C-N-CA 125.57 4.18 . . . . 0.0 113.124 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -73.74 37.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.562 2.745 . . . . 0.0 110.622 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.314 0.5 OUTLIER 52.9 -61.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 129.924 3.289 . . . . 0.0 112.801 -160.234 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 t80 47.57 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.479 3.111 . . . . 0.0 113.624 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -139.53 73.13 36.16 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.785 1.634 . . . . 0.0 106.971 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.61 65.73 8.62 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.895 3.063 . . . . 0.0 113.085 -155.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.02 86.77 Favored Glycine 0 C--N 1.334 0.458 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.5 t 61.16 11.43 3.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 125.018 1.327 . . . . 0.0 110.702 -175.355 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.28 44.42 2.97 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.934 0.894 . . . . 0.0 111.329 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' ' 21' ' ' ARG . . . 142.12 -134.72 6.28 Favored Glycine 0 C--N 1.341 0.843 0 CA-C-O 119.046 -0.864 . . . . 0.0 112.273 -171.245 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 178.06 157.34 0.42 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.652 1.581 . . . . 0.0 107.783 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.78 134.18 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 162.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -144.78 -111.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.155 1.782 . . . . 0.0 107.539 -175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 28.6 m-70 -144.37 154.32 42.88 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.697 1.59 . . . . 0.0 108.046 -151.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.58 -100.11 0.13 Allowed Glycine 0 C--N 1.334 0.429 0 O-C-N 120.797 -1.189 . . . . 0.0 110.877 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.454 HG22 ' HG2' ' A' ' 15' ' ' LYS . 1.9 m 75.65 -35.22 0.26 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.099 1.76 . . . . 0.0 111.79 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 63.95 165.36 0.14 Allowed 'General case' 0 C--N 1.341 0.196 0 C-N-CA 131.466 3.906 . . . . 0.0 114.784 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.43 -173.17 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.23 -158.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.18 82.02 1.64 Allowed 'Trans proline' 0 CA--C 1.538 0.703 0 CA-C-N 122.036 1.763 . . . . 0.0 110.099 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -97.16 -82.1 0.41 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.214 1.006 . . . . 0.0 111.674 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.33 -62.98 0.34 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.141 -1.409 . . . . 0.0 109.589 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 25.2 p -156.69 163.65 39.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 120.216 1.371 . . . . 0.0 107.906 171.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 p -138.52 147.92 43.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.247 1.019 . . . . 0.0 111.64 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt 168.21 105.11 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 128.362 2.665 . . . . 0.0 110.332 -169.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 132.87 49.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.375 -1.298 . . . . 0.0 107.977 152.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 92.9 mtt180 -139.85 165.57 26.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 131.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 133.6 35.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -82.52 176.59 9.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.573 -1.329 . . . . 0.0 111.609 -170.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -77.68 52.7 1.03 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.528 1.531 . . . . 0.0 111.297 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.18 -15.33 0.41 Allowed Glycine 0 C--N 1.335 0.518 0 CA-C-O 118.311 -1.272 . . . . 0.0 114.906 165.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -153.31 156.42 38.35 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.403 -2.444 . . . . 0.0 104.403 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -66.92 0.32 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.834 -170.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 38.13 62.21 0.99 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.472 1.509 . . . . 0.0 112.664 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.38 126.91 14.14 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 174.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.74 135.49 0.26 Allowed Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 171.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.51 4.19 4.17 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 121.644 1.563 . . . . 0.0 112.511 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.15 -97.5 0.14 Allowed 'General case' 0 C--N 1.346 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.661 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -71.53 81.48 0.81 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.062 0.945 . . . . 0.0 109.909 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.26 25.77 0.99 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.784 -170.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -44.97 -51.19 23.9 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.489 168.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.78 100.71 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.154 1.236 . . . . 0.0 109.692 167.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.92 -45.69 0.64 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.81 75.15 0.53 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.829 0.823 . . . . 0.0 109.489 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 N--CA 1.463 0.224 0 C-N-CA 129.175 2.99 . . . . 0.0 113.279 170.143 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m80 . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.98 156.96 13.58 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 166.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.53 130.82 2.08 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.614 2.054 . . . . 0.0 109.273 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -145.54 150.81 37.11 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 120.156 1.978 . . . . 0.0 106.871 162.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.45 149.79 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.817 1.647 . . . . 0.0 107.373 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.94 -48.35 1.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.239 1.415 . . . . 0.0 111.74 -163.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER 70.94 20.75 5.25 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 120.371 1.441 . . . . 0.0 113.039 176.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.32 68.42 0.54 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.77 154.41 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 159.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.13 175.27 5.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.429 0.156 . . . . 0.0 110.582 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.26 32.6 mt 57.31 -156.91 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.239 0 CA-C-O 117.137 -1.411 . . . . 0.0 107.367 -166.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.46 31.66 0.38 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 CA-C-N 124.447 2.624 . . . . 0.0 113.635 -173.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 48.31 175.65 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 130.329 3.452 . . . . 0.0 113.827 -166.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 39' ' ' ASP . 3.3 ptmm? -143.39 38.3 1.39 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 175.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.6 m 93.39 -36.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.752 2.821 . . . . 0.0 109.738 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' HIS 0.334 2.2 p -139.74 155.96 47.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.611 1.672 . . . . 0.0 113.711 169.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' H ' ' H ' ' A' ' 9' ' ' HIS . 48.3 tp -124.28 165.23 18.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 103.443 -2.799 . . . . 0.0 103.443 137.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m 66.09 144.14 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 128.139 2.576 . . . . 0.0 115.972 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -148.86 -171.02 3.77 Favored 'General case' 0 N--CA 1.446 -0.632 1 C-N-CA 135.168 5.387 . . . . 0.0 101.675 165.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 t -120.84 150.39 41.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 150.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -75.55 2.44 11.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.17 0.588 . . . . 0.0 110.829 167.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 78.65 -39.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 129.001 2.92 . . . . 0.0 112.221 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.4 -6.13 36.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.099 1.333 . . . . 0.0 113.248 170.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -147.79 152.36 37.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 127.168 2.187 . . . . 0.0 105.134 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -68.53 0.36 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.065 0.393 . . . . 0.0 110.375 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 59.34 -57.34 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.813 2.445 . . . . 0.0 113.941 -167.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m 57.5 128.52 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.726 2.01 . . . . 0.0 111.828 -159.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -156.97 158.25 31.12 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 159.536 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.21 -28.9 27.42 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.107 3.205 . . . . 0.0 114.095 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.479 ' H ' HD12 ' A' ' 30' ' ' LEU . 25.7 tp60 66.5 -43.52 0.41 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 130.89 3.676 . . . . 0.0 112.324 -171.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 m -74.68 72.67 1.99 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.17 -69.59 0.47 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.177 0.591 . . . . 0.0 110.058 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -56.22 0.21 Allowed Pre-proline 0 CA--C 1.542 0.646 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.12 -173.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -80.44 165.67 20.61 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 CA-C-N 121.252 1.483 . . . . 0.0 111.295 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.29 -27.45 1.22 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.485 1.517 . . . . 0.0 114.588 167.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -167.36 74.05 0.13 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.579 1.152 . . . . 0.0 108.113 -172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 2.3 m-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 128.126 2.57 . . . . 0.0 113.308 163.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.88 70.57 2.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -145.88 156.98 43.91 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.621 1.168 . . . . 0.0 109.644 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -132.16 22.44 4.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 125.284 1.434 . . . . 0.0 110.52 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 31.5 p -177.46 -175.37 0.54 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.586 1.155 . . . . 0.0 110.8 172.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.57 -132.13 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.149 1.833 . . . . 0.0 111.754 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -170.83 -145.31 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -159.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.2 153.85 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 127.624 2.369 . . . . 0.0 104.745 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -153.0 -169.31 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -176.132 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 6.8 p-80 169.01 70.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 1 C-N-CA 131.921 4.088 . . . . 0.0 105.207 -171.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -68.52 81.51 0.21 Allowed Glycine 0 C--N 1.337 0.636 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 167.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.06 -55.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.015 1.726 . . . . 0.0 110.044 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.261 1.2 p-90 48.52 172.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.053 2.541 . . . . 0.0 114.505 -165.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.92 -168.4 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 CA-C-N 114.311 -1.313 . . . . 0.0 107.713 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.86 71.8 6.41 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 CA-C-N 122.878 2.064 . . . . 0.0 110.588 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -136.83 153.1 50.88 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 121.521 -0.737 . . . . 0.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.28 74.0 1.5 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.251 1.421 . . . . 0.0 109.228 -173.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.17 141.97 25.71 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' N ' ' A' ' 10' ' ' GLY . 14.6 m 84.39 142.44 0.06 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.875 2.07 . . . . 0.0 110.834 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.7 -165.18 1.9 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.878 0.871 . . . . 0.0 109.494 -171.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 61.9 m -142.48 -171.23 3.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 128.628 2.771 . . . . 0.0 107.332 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -134.83 179.55 6.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 157.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -124.52 100.93 6.89 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.361 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.21 159.61 34.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -61.22 -11.95 11.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.22 1.808 . . . . 0.0 114.831 -172.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.83 33.29 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.433 1.016 . . . . 0.0 111.112 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -145.44 134.93 23.2 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 57.75 100.67 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.743 1.617 . . . . 0.0 112.179 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -74.08 -88.61 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.624 -0.673 . . . . 0.0 109.864 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 64.1 m -146.82 115.97 6.96 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.67 1.188 . . . . 0.0 109.239 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -153.92 155.79 31.5 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 126.611 1.964 . . . . 0.0 108.595 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.56 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.365 2.71 . . . . 0.0 110.413 170.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 69.82 67.9 0.23 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.705 1.602 . . . . 0.0 109.511 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.292 0.4 OUTLIER 51.52 20.39 1.03 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.13 2.172 . . . . 0.0 114.408 -177.623 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -49.72 -38.08 31.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.339 1.455 . . . . 0.0 113.565 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 tp -149.49 97.76 3.5 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-O 118.099 -0.953 . . . . 0.0 108.497 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.71 69.45 2.86 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.778 2.985 . . . . 0.0 111.995 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.46 9.73 0.03 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.288 1.899 . . . . 0.0 112.48 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -168.12 73.9 0.11 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 58.29 -162.67 0.22 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.334 1.053 . . . . 0.0 110.176 -170.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 O-C-N 120.52 -1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 32.83 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.927 1.691 . . . . 0.0 114.211 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -49.06 -65.34 0.58 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.025 2.53 . . . . 0.0 112.919 -165.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 46.57 30.05 1.04 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.395 1.478 . . . . 0.0 113.912 -171.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -159.84 102.86 1.5 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.66 113.12 1.49 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -139.75 24.92 2.39 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.417 0.608 . . . . 0.0 112.485 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mm -50.3 147.75 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 128.492 2.717 . . . . 0.0 110.925 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -150.77 -169.2 3.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.48 1.112 . . . . 0.0 110.517 -164.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.5 p80 146.4 62.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 131.431 3.892 . . . . 0.0 108.356 -153.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' H ' ' CB ' ' A' ' 18' ' ' SER . . . -76.86 30.9 1.52 Allowed Glycine 0 CA--C 1.534 1.255 0 O-C-N 120.609 -1.307 . . . . 0.0 112.648 177.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -150.83 153.01 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.003 1.321 . . . . 0.0 108.713 -153.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -83.48 168.58 16.36 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.095 1.358 . . . . 0.0 111.708 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.38 172.83 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.181 0.992 . . . . 0.0 109.833 -150.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.05 80.22 2.49 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.22 1.28 . . . . 0.0 109.233 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt 73.3 175.2 0.27 Allowed 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 108.638 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttm 174.73 -45.66 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 129.235 3.014 . . . . 0.0 106.705 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -156.22 108.98 2.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.537 ' CB ' ' H ' ' A' ' 10' ' ' GLY . 70.2 m 125.31 115.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.53 3.532 . . . . 0.0 108.233 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.03 177.0 11.82 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 166.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.543 ' H ' HD13 ' A' ' 19' ' ' LEU . 3.7 t -160.8 -170.39 2.72 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.531 1.533 . . . . 0.0 108.437 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -134.13 -175.57 3.9 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.651 1.18 . . . . 0.0 111.022 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.41 98.41 4.86 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.28 2.632 . . . . 0.0 104.969 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -150.05 164.45 35.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -81.77 75.42 8.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.459 0.704 . . . . 0.0 110.912 -174.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.34 -0.91 6.05 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.318 0.961 . . . . 0.0 113.972 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 34.99 68.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.578 2.351 . . . . 0.0 116.644 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 10.8 -87.32 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.886 2.875 . . . . 0.0 113.172 154.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -149.14 168.35 23.45 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.347 1.859 . . . . 0.0 106.084 146.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.5 m -67.87 168.41 11.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 157.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -144.39 119.65 6.04 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.534 1.134 . . . . 0.0 108.268 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.19 -32.69 16.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 121.324 1.349 . . . . 0.0 112.094 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' CD ' ' H ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -160.16 -70.88 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.09 1.756 . . . . 0.0 106.856 157.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.476 ' H ' ' CD ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -111.02 -16.8 13.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.443 1.497 . . . . 0.0 111.843 -174.161 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.2 t80 48.49 56.09 8.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.509 1.524 . . . . 0.0 111.863 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mt -141.57 -63.44 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.173 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 163.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -65.14 141.19 68.49 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 144.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.31 -31.12 66.32 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -157.02 75.26 0.82 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -168.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -57.2 100.25 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.544 1.138 . . . . 0.0 110.512 171.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 O-C-N 121.527 -0.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.0 60.98 1.11 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.06 1.344 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -71.81 47.88 0.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 113.128 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.1 35.01 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -132.75 -128.06 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.803 1.241 . . . . 0.0 108.979 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 168.64 -161.38 35.09 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 -168.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -165.14 -167.68 1.24 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.127 1.771 . . . . 0.0 107.381 -163.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 mm -114.42 158.45 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 127.989 2.516 . . . . 0.0 110.244 -163.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 2.1 tp -152.72 -172.51 4.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.105 2.162 . . . . 0.0 107.645 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.605 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -163.23 9.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.901 2.88 . . . . 0.0 111.89 -175.103 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.32 -80.58 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 126.547 2.023 . . . . 0.0 111.418 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -60.91 154.37 22.44 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 127.371 2.269 . . . . 0.0 109.564 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -82.38 169.0 16.94 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.574 1.15 . . . . 0.0 111.047 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp 56.64 -179.18 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.07 0.548 . . . . 0.0 109.643 -156.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -75.7 38.24 0.56 Allowed 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.218 1.945 . . . . 0.0 112.083 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -75.76 108.65 8.76 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 120.696 -1.252 . . . . 0.0 108.208 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 86.58 0.06 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.427 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.89 8.63 4.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.65 1.58 . . . . 0.0 113.092 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -165.69 -178.01 4.63 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 127.051 2.14 . . . . 0.0 106.618 167.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -150.37 -177.26 5.85 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.882 -2.266 . . . . 0.0 104.882 161.369 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.697 ' H ' HD13 ' A' ' 19' ' ' LEU . 11.2 t -156.05 163.05 40.16 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.2 mtm-85 -155.73 163.3 40.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.738 1.215 . . . . 0.0 107.747 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' HA3' ' A' ' 5' ' ' GLY . 89.8 m -58.4 142.71 47.57 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.44 0.462 . . . . 0.0 111.996 164.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -156.68 171.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.463 0.305 . . . . 0.0 110.52 157.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.02 -30.6 66.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.538 1.135 . . . . 0.0 112.981 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.85 86.6 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.025 -1.431 . . . . 0.0 113.421 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 71.62 123.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.27 2.228 . . . . 0.0 110.004 -166.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 2.22 102.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.97 3.308 . . . . 0.0 118.884 -177.703 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -79.22 -7.96 58.66 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.467 1.507 . . . . 0.0 114.751 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' HD22 ' A' ' 8' ' ' LEU . 58.9 m 20.16 90.42 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.887 3.275 . . . . 0.0 116.236 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 128.41 12.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -68.26 -61.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.722 2.948 . . . . 0.0 111.1 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 69.1 -52.74 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 130.0 3.32 . . . . 0.0 111.755 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 m -133.74 -4.86 2.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.581 2.352 . . . . 0.0 110.134 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.31 78.2 3.84 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.972 -1.08 . . . . 0.0 112.034 -167.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.75 89.69 0.1 Allowed Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.836 2.454 . . . . 0.0 110.663 -166.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.84 56.69 4.82 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.461 2.774 . . . . 0.0 112.051 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.47 3.85 1.92 Allowed Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.363 1.935 . . . . 0.0 112.682 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.1 t -167.78 76.71 0.15 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -167.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.46 -12.24 59.82 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.14 0 O-C-N 120.519 -1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.71 159.89 16.12 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.59 0.356 . . . . 0.0 110.055 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . 33.61 -114.09 0.06 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.513 2.325 . . . . 0.0 110.78 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -130.15 57.73 1.69 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 160.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.7 t -123.69 -100.76 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.141 0.977 . . . . 0.0 110.321 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.95 -170.22 12.78 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 119.726 1.148 . . . . 0.0 112.57 -166.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.306 94.7 p -108.56 -126.55 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.591 0.818 . . . . 0.0 111.865 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mm -68.53 158.18 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.259 1.024 . . . . 0.0 110.235 -168.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -151.89 140.07 20.29 Favored 'General case' 0 C--O 1.227 -0.081 0 O-C-N 120.648 -1.282 . . . . 0.0 108.46 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 43.9 53.23 6.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.772 2.429 . . . . 0.0 112.743 166.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.62 39.2 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 90.79 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.399 1.88 . . . . 0.0 108.8 171.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.02 166.78 14.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.44 175.88 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.506 . . . . 0.0 109.269 -147.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.12 83.48 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.851 1.701 . . . . 0.0 110.439 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -109.35 -167.28 1.19 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.874 1.269 . . . . 0.0 110.858 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -68.65 66.24 0.13 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 154.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.3 110.25 1.19 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -30.44 128.69 0.12 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 129.457 3.103 . . . . 0.0 113.429 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -88.86 -59.74 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.239 0.927 . . . . 0.0 112.42 -166.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t 60.21 -175.99 0.11 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.239 1.018 . . . . 0.0 113.151 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -147.15 113.51 5.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.524 1.929 . . . . 0.0 107.37 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.46 143.52 42.58 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 164.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -150.92 -60.53 0.18 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.527 0.731 . . . . 0.0 111.689 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -155.15 20.43 0.43 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.84 3.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -149.02 176.97 9.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.988 1.315 . . . . 0.0 109.611 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt 78.87 118.82 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 129.608 3.163 . . . . 0.0 110.925 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -65.56 -19.9 66.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 117.461 -1.257 . . . . 0.0 111.531 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.6 m 67.52 157.62 0.13 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.889 1.276 . . . . 0.0 111.874 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.1 105.94 3.87 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.488 0.715 . . . . 0.0 109.895 -170.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -87.18 19.29 1.4 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.843 3.695 . . . . 0.0 112.231 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.65 -83.61 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.433 1.893 . . . . 0.0 109.433 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -138.26 1.56 2.22 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.079 0.952 . . . . 0.0 111.011 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.49 -40.64 75.28 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.374 1.07 . . . . 0.0 113.391 -161.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -160.04 106.45 1.41 Allowed Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.891 1.277 . . . . 0.0 107.645 162.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -70.9 172.19 14.24 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.955 2.437 . . . . 0.0 111.34 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.3 5.82 20.82 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 116.079 1.191 . . . . 0.0 116.079 166.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.84 15.68 10.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 165.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -43.47 124.97 3.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.311 1.844 . . . . 0.0 113.181 -169.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 121.678 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 1.67 4.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -73.79 -89.35 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.334 1.854 . . . . 0.0 109.628 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 24' ' ' HIS . 51.7 t-80 57.97 97.44 0.02 OUTLIER 'General case' 0 C--N 1.346 0.454 0 C-N-CA 126.358 1.863 . . . . 0.0 111.762 -158.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER 65.75 -174.67 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.31 1.444 . . . . 0.0 112.397 170.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.73 128.91 2.08 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -126.0 135.43 51.79 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 165.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.17 160.36 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.391 1.076 . . . . 0.0 108.607 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.57 -104.11 0.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.897 1.679 . . . . 0.0 107.885 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -149.36 -0.32 0.49 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.627 1.171 . . . . 0.0 113.346 -160.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.89 61.88 4.67 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 125.594 1.568 . . . . 0.0 110.207 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m -62.39 63.49 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 129.454 3.101 . . . . 0.0 112.089 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.304 0.0 OUTLIER 55.54 -155.34 0.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.219 1.008 . . . . 0.0 111.042 175.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -28.32 -60.93 0.21 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.229 1.811 . . . . 0.0 111.584 167.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.89 35.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.464 4.776 . . . . 0.0 115.195 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -40.61 142.46 0.44 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.203 1.401 . . . . 0.0 113.817 165.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -107.61 -41.86 4.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 117.193 -1.384 . . . . 0.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.9 t -138.27 -71.29 0.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.045 1.293 . . . . 0.0 112.597 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -155.64 147.91 23.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.839 1.2 . . . . 0.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.15 155.0 27.66 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.55 1.54 . . . . 0.0 110.007 -174.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -151.01 159.53 44.51 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -158.12 178.63 9.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.72 159.68 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.348 -2.094 . . . . 0.0 105.348 154.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -142.23 172.86 12.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 1.8 t60 -76.59 50.32 0.67 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.482 1.913 . . . . 0.0 111.116 -171.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.99 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.162 1.363 . . . . 0.0 113.379 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -141.72 164.61 29.75 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.287 1.543 . . . . 0.0 110.387 -175.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER 70.44 156.05 0.15 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 128.508 2.723 . . . . 0.0 112.454 173.352 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.46 ' H ' HD23 ' A' ' 27' ' ' LEU . 37.1 m80 -138.8 21.23 2.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.365 1.466 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.1 m 73.47 115.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 128.171 2.589 . . . . 0.0 113.51 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.68 156.63 19.98 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.16 1.384 . . . . 0.0 109.107 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.71 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.52 3.48 . . . . 0.0 110.549 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -164.68 -53.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.977 1.711 . . . . 0.0 109.304 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -120.93 -8.02 9.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.301 1.04 . . . . 0.0 112.317 -173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 t80 61.08 -20.09 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.87 2.868 . . . . 0.0 116.508 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.72 -50.01 75.74 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.947 1.299 . . . . 0.0 112.389 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.33 72.0 6.13 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.492 2.128 . . . . 0.0 109.305 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.44 -30.58 2.11 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.686 2.565 . . . . 0.0 115.583 -166.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -149.97 26.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.741 0.816 . . . . 0.0 111.044 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.267 4.0 p30 46.96 -11.41 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 130.387 3.475 . . . . 0.0 119.155 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 121.185 1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.66 165.73 11.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.362 1.065 . . . . 0.0 108.199 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -60.05 -16.82 34.48 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.916 1.286 . . . . 0.0 113.418 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.261 41.0 p-80 46.15 -125.65 1.37 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.318 1.447 . . . . 0.0 110.922 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.98 86.04 0.71 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.967 0.907 . . . . 0.0 111.418 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 -65.34 2.41 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.175 0.893 . . . . 0.0 111.649 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m 48.21 21.6 0.36 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mt -55.41 149.09 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.582 1.153 . . . . 0.0 108.789 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.96 130.48 35.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 163.45 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.578 2.351 . . . . 0.0 112.296 -174.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.19 28.29 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.181 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.02 152.49 41.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.437 1.118 . . . . 0.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -82.26 -170.83 3.11 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.744 1.618 . . . . 0.0 109.775 167.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp 60.47 -159.57 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -172.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.85 36.79 0.36 Allowed 'Trans proline' 0 CA--C 1.547 1.154 0 CA-C-N 124.147 2.517 . . . . 0.0 112.739 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 63.24 175.3 0.16 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.299 2.64 . . . . 0.0 111.072 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.28 -33.77 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 117.034 -1.46 . . . . 0.0 112.039 173.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -149.86 167.26 27.08 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.798 1.636 . . . . 0.0 106.719 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -169.72 108.0 0.39 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.481 0.713 . . . . 0.0 111.554 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 tp -159.02 151.18 21.15 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.235 -0.291 . . . . 0.0 110.465 156.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 t -153.22 168.86 24.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 153.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -141.3 122.19 14.49 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 123.582 0.753 . . . . 0.0 110.458 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.97 85.62 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 150.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -106.59 -10.32 16.24 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.993 161.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.81 -42.14 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 130.104 3.362 . . . . 0.0 114.306 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.73 -8.84 87.07 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.541 1.067 . . . . 0.0 111.163 162.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -142.94 153.41 43.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.068 1.434 . . . . 0.0 108.386 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.16 -84.09 0.61 Allowed 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.084 2.554 . . . . 0.0 106.402 163.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 48.65 -75.84 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.696 1.198 . . . . 0.0 109.484 -147.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m 62.25 164.73 0.1 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 126.959 2.104 . . . . 0.0 111.203 -171.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -145.02 62.56 9.21 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 125.004 1.322 . . . . 0.0 109.891 171.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.92 -39.71 23.91 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.558 2.839 . . . . 0.0 108.626 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -134.07 -101.71 0.24 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 157.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -117.21 62.42 0.74 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.023 0.929 . . . . 0.0 108.71 -171.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -68.85 -21.24 64.28 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.098 -0.376 . . . . 0.0 111.088 173.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.1 tp -132.06 141.15 40.41 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 167.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.77 70.31 2.8 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.766 2.977 . . . . 0.0 111.113 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.81 14.71 1.76 Allowed Glycine 0 C--N 1.333 0.414 0 C-N-CA 126.075 1.798 . . . . 0.0 112.863 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.22 58.76 0.65 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 122.174 0.987 . . . . 0.0 109.345 -157.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.9 -9.39 37.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.516 1.127 . . . . 0.0 112.959 174.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 O-C-N 121.261 -0.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.38 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -65.62 -65.11 0.72 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.716 1.606 . . . . 0.0 110.571 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 m80 67.9 -177.67 0.21 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 0.0 108.788 -166.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 p -84.7 -173.2 4.59 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.213 -0.929 . . . . 0.0 110.409 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.49 133.25 3.9 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 165.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -118.74 157.56 27.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.011 1.724 . . . . 0.0 107.71 169.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -117.57 155.09 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 8.5 tp -163.89 -172.98 3.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 127.753 2.421 . . . . 0.0 109.081 -175.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 29.7 p-80 150.69 106.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.138 1 C-N-CA 132.664 4.386 . . . . 0.0 107.217 -167.579 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.17 105.34 0.25 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -136.45 112.52 9.7 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 175.32 6.91 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 124.077 0.861 . . . . 0.0 111.602 -176.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.67 -177.91 0.03 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 124.264 1.026 . . . . 0.0 109.277 -156.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.49 66.42 6.44 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 121.863 1.701 . . . . 0.0 109.473 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -63.81 1.1 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 53.12 91.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.797 2.839 . . . . 0.0 112.518 -173.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -165.55 -147.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m 89.74 137.49 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 128.379 2.672 . . . . 0.0 111.151 176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -149.92 -35.82 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.922 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t 65.33 172.3 0.21 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.547 1.139 . . . . 0.0 112.833 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -177.44 49.19 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.7 t -3.26 99.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.817 2.447 . . . . 0.0 114.61 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.92 164.64 26.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.282 1.039 . . . . 0.0 110.455 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.97 96.65 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.128 2.171 . . . . 0.0 109.918 163.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 7.83 84.25 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.937 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -146.42 137.96 24.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.63 2.215 . . . . 0.0 109.983 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.15 70.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.325 0.511 . . . . 0.0 112.222 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 25.23 59.62 0.05 Allowed 'General case' 0 C--O 1.239 0.504 0 C-N-CA 130.599 3.559 . . . . 0.0 113.823 168.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.68 164.04 10.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.236 0.541 . . . . 0.0 111.084 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.71 156.34 56.1 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -102.49 -48.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 115.678 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 100.4 2.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.172 3.389 . . . . 0.0 111.782 -166.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 36' ' ' PRO . 51.1 m -65.78 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 159.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.2 t80 58.99 -53.63 0.05 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.669 1.987 . . . . 0.0 113.534 -165.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' H ' ' HD2' ' A' ' 36' ' ' PRO . 48.8 mt -135.3 -68.56 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.07 1.748 . . . . 0.0 111.267 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 35' ' ' LEU . 88.3 Cg_endo -62.89 151.94 81.64 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 123.936 3.091 . . . . 0.0 108.328 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.06 -39.93 4.07 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 123.72 0.676 . . . . 0.0 112.365 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -175.18 85.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.263 1.025 . . . . 0.0 108.863 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -150.28 -69.64 0.19 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.237 0.615 . . . . 0.0 109.805 166.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.111 0 O-C-N 121.38 -0.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.19 22.57 1.36 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.702 0.801 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -62.03 174.71 0.81 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.965 1.306 . . . . 0.0 112.143 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 -133.93 169.16 17.51 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.787 1.635 . . . . 0.0 108.501 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.89 -85.17 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.54 1.136 . . . . 0.0 111.045 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.53 52.35 7.47 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.844 1.202 . . . . 0.0 113.699 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -94.72 72.49 3.6 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.54 1.67 . . . . 0.0 113.034 -150.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.05 126.05 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 120.908 -1.12 . . . . 0.0 111.546 177.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -95.59 -54.67 3.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.379 1.472 . . . . 0.0 111.827 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 48.34 29.05 1.81 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 165.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -143.26 121.4 1.69 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -168.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.06 166.89 24.78 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -170.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -67.42 171.67 5.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.84 0.456 . . . . 0.0 110.277 166.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.78 -169.43 0.01 OUTLIER Pre-proline 0 CA--C 1.554 1.131 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.032 -160.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.93 62.06 5.73 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 CA-C-N 123.262 2.201 . . . . 0.0 110.703 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 pttt 48.92 172.03 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 131.019 3.728 . . . . 0.0 114.985 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -133.9 18.58 3.82 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.01 1.724 . . . . 0.0 110.349 166.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 t 60.89 51.45 4.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.312 1.845 . . . . 0.0 112.962 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.598 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 53.9 m -30.65 117.9 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.87 2.868 . . . . 0.0 115.373 174.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.82 111.34 7.0 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.178 0.99 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.8 t -145.0 162.19 37.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 151.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -172.6 171.75 4.45 Favored 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.767 4.027 . . . . 0.0 102.905 173.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 t -151.12 104.08 3.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.47 86.78 6.27 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.9 -18.48 0.05 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.977 2.511 . . . . 0.0 115.037 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.5 -21.17 0.1 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 128.209 2.814 . . . . 0.0 111.353 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.12 169.1 17.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.84 1.32 . . . . 0.0 110.919 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt 69.08 -166.8 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.141 2.176 . . . . 0.0 110.703 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 174.4 175.01 0.17 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 130.064 3.346 . . . . 0.0 107.008 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.39 130.23 39.69 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.07 0.548 . . . . 0.0 110.299 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.3 mt -149.34 76.95 9.12 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 124.705 1.202 . . . . 0.0 109.615 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.32 12.24 1.61 Allowed 'Trans proline' 0 CA--C 1.539 0.768 1 C-N-CA 125.57 4.18 . . . . 0.0 113.124 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -73.74 37.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.562 2.745 . . . . 0.0 110.622 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.314 0.5 OUTLIER 52.9 -61.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 129.924 3.289 . . . . 0.0 112.801 -160.234 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 t80 47.57 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.479 3.111 . . . . 0.0 113.624 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -139.53 73.13 36.16 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.785 1.634 . . . . 0.0 106.971 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.61 65.73 8.62 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.895 3.063 . . . . 0.0 113.085 -155.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.02 86.77 Favored Glycine 0 C--N 1.334 0.458 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.5 t 61.16 11.43 3.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.78 83.36 1.18 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.018 1.327 . . . . 0.0 110.702 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 121.54 -0.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -150.91 0.47 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.727 1.211 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . 60.93 -70.04 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.155 2.982 . . . . 0.0 115.1 168.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 34.74 84.82 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.738 2.815 . . . . 0.0 114.266 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.28 44.42 2.97 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.934 0.894 . . . . 0.0 111.329 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' ' 21' ' ' ARG . . . 142.12 -134.72 6.28 Favored Glycine 0 C--N 1.341 0.843 0 CA-C-O 119.046 -0.864 . . . . 0.0 112.273 -171.245 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 178.06 157.34 0.42 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.652 1.581 . . . . 0.0 107.783 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.78 134.18 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 162.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -144.78 -111.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.155 1.782 . . . . 0.0 107.539 -175.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 28.6 m-70 -144.37 154.32 42.88 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.697 1.59 . . . . 0.0 108.046 -151.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.58 -100.11 0.13 Allowed Glycine 0 C--N 1.334 0.429 0 O-C-N 120.797 -1.189 . . . . 0.0 110.877 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 HG22 ' HG2' ' A' ' 15' ' ' LYS . 1.9 m 75.65 -35.22 0.26 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.099 1.76 . . . . 0.0 111.79 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 63.95 165.36 0.14 Allowed 'General case' 0 C--N 1.341 0.196 0 C-N-CA 131.466 3.906 . . . . 0.0 114.784 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.43 -173.17 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.23 -158.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.18 82.02 1.64 Allowed 'Trans proline' 0 CA--C 1.538 0.703 0 CA-C-N 122.036 1.763 . . . . 0.0 110.099 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -97.16 -82.1 0.41 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.214 1.006 . . . . 0.0 111.674 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.33 -62.98 0.34 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.141 -1.409 . . . . 0.0 109.589 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 25.2 p -156.69 163.65 39.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 120.216 1.371 . . . . 0.0 107.906 171.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 p -138.52 147.92 43.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.247 1.019 . . . . 0.0 111.64 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt 168.21 105.11 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 128.362 2.665 . . . . 0.0 110.332 -169.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 132.87 49.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.375 -1.298 . . . . 0.0 107.977 152.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 92.9 mtt180 -139.85 165.57 26.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 131.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 133.6 35.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -82.52 176.59 9.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.573 -1.329 . . . . 0.0 111.609 -170.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -77.68 52.7 1.03 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.528 1.531 . . . . 0.0 111.297 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.18 -15.33 0.41 Allowed Glycine 0 C--N 1.335 0.518 0 CA-C-O 118.311 -1.272 . . . . 0.0 114.906 165.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -153.31 156.42 38.35 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.403 -2.444 . . . . 0.0 104.403 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -66.92 0.32 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.834 -170.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 38.13 62.21 0.99 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.472 1.509 . . . . 0.0 112.664 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.38 126.91 14.14 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 174.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.74 135.49 0.26 Allowed Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 171.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.51 4.19 4.17 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 121.644 1.563 . . . . 0.0 112.511 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.15 -97.5 0.14 Allowed 'General case' 0 C--N 1.346 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.661 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -71.53 81.48 0.81 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.062 0.945 . . . . 0.0 109.909 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.26 25.77 0.99 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.784 -170.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -44.97 -51.19 23.9 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.489 168.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.78 100.71 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.154 1.236 . . . . 0.0 109.692 167.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.92 -45.69 0.64 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.81 75.15 0.53 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.829 0.823 . . . . 0.0 109.489 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 39.77 63.98 0.94 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 129.175 2.99 . . . . 0.0 113.279 170.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 121.887 -0.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.33 73.58 1.22 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.514 1.126 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . -72.8 171.95 11.7 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.889 2.076 . . . . 0.0 110.66 173.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -135.05 122.83 22.34 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.98 156.96 13.58 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 166.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.53 130.82 2.08 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.614 2.054 . . . . 0.0 109.273 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -145.54 150.81 37.11 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 120.156 1.978 . . . . 0.0 106.871 162.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.45 149.79 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.817 1.647 . . . . 0.0 107.373 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.94 -48.35 1.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.239 1.415 . . . . 0.0 111.74 -163.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER 70.94 20.75 5.25 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 120.371 1.441 . . . . 0.0 113.039 176.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.32 68.42 0.54 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.77 154.41 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 159.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.13 175.27 5.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.429 0.156 . . . . 0.0 110.582 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.26 32.6 mt 57.31 -156.91 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.239 0 CA-C-O 117.137 -1.411 . . . . 0.0 107.367 -166.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.46 31.66 0.38 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 CA-C-N 124.447 2.624 . . . . 0.0 113.635 -173.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 48.31 175.65 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 130.329 3.452 . . . . 0.0 113.827 -166.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 39' ' ' ASP . 3.3 ptmm? -143.39 38.3 1.39 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 175.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.6 m 93.39 -36.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.752 2.821 . . . . 0.0 109.738 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' HIS 0.334 2.2 p -139.74 155.96 47.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.611 1.672 . . . . 0.0 113.711 169.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' H ' ' H ' ' A' ' 9' ' ' HIS . 48.3 tp -124.28 165.23 18.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 103.443 -2.799 . . . . 0.0 103.443 137.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m 66.09 144.14 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 128.139 2.576 . . . . 0.0 115.972 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -148.86 -171.02 3.77 Favored 'General case' 0 N--CA 1.446 -0.632 1 C-N-CA 135.168 5.387 . . . . 0.0 101.675 165.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 t -120.84 150.39 41.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 150.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -75.55 2.44 11.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.17 0.588 . . . . 0.0 110.829 167.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 78.65 -39.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 129.001 2.92 . . . . 0.0 112.221 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.4 -6.13 36.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.099 1.333 . . . . 0.0 113.248 170.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -147.79 152.36 37.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 127.168 2.187 . . . . 0.0 105.134 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -68.53 0.36 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.065 0.393 . . . . 0.0 110.375 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 59.34 -57.34 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.813 2.445 . . . . 0.0 113.941 -167.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m 57.5 128.52 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.726 2.01 . . . . 0.0 111.828 -159.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -156.97 158.25 31.12 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 159.536 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.21 -28.9 27.42 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.107 3.205 . . . . 0.0 114.095 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' H ' HD12 ' A' ' 30' ' ' LEU . 25.7 tp60 66.5 -43.52 0.41 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 130.89 3.676 . . . . 0.0 112.324 -171.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 m -74.68 72.67 1.99 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.17 -69.59 0.47 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.177 0.591 . . . . 0.0 110.058 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -56.22 0.21 Allowed Pre-proline 0 CA--C 1.542 0.646 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.12 -173.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -80.44 165.67 20.61 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 CA-C-N 121.252 1.483 . . . . 0.0 111.295 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.29 -27.45 1.22 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.485 1.517 . . . . 0.0 114.588 167.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -167.36 74.05 0.13 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.579 1.152 . . . . 0.0 108.113 -172.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 2.3 m-20 36.28 60.02 0.9 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 128.126 2.57 . . . . 0.0 113.308 163.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 117.68 -1.152 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 31.5 p -177.46 -175.37 0.54 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.586 1.155 . . . . 0.0 110.8 172.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.57 -132.13 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.149 1.833 . . . . 0.0 111.754 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -170.83 -145.31 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -159.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.2 153.85 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 127.624 2.369 . . . . 0.0 104.745 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -153.0 -169.31 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -176.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.51 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 6.8 p-80 169.01 70.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 1 C-N-CA 131.921 4.088 . . . . 0.0 105.207 -171.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.4 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -68.52 81.51 0.21 Allowed Glycine 0 C--N 1.337 0.636 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 167.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.06 -55.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.015 1.726 . . . . 0.0 110.044 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.261 1.2 p-90 48.52 172.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.053 2.541 . . . . 0.0 114.505 -165.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.92 -168.4 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 CA-C-N 114.311 -1.313 . . . . 0.0 107.713 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.86 71.8 6.41 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 CA-C-N 122.878 2.064 . . . . 0.0 110.588 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -136.83 153.1 50.88 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 121.521 -0.737 . . . . 0.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.28 74.0 1.5 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.251 1.421 . . . . 0.0 109.228 -173.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.17 141.97 25.71 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' N ' ' A' ' 10' ' ' GLY . 14.6 m 84.39 142.44 0.06 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.875 2.07 . . . . 0.0 110.834 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.7 -165.18 1.9 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.878 0.871 . . . . 0.0 109.494 -171.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 61.9 m -142.48 -171.23 3.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 128.628 2.771 . . . . 0.0 107.332 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -134.83 179.55 6.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 157.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -124.52 100.93 6.89 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.21 159.61 34.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -61.22 -11.95 11.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.22 1.808 . . . . 0.0 114.831 -172.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.83 33.29 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.433 1.016 . . . . 0.0 111.112 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -145.44 134.93 23.2 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 57.75 100.67 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.743 1.617 . . . . 0.0 112.179 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -74.08 -88.61 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.624 -0.673 . . . . 0.0 109.864 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 64.1 m -146.82 115.97 6.96 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.67 1.188 . . . . 0.0 109.239 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -153.92 155.79 31.5 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 126.611 1.964 . . . . 0.0 108.595 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.56 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.365 2.71 . . . . 0.0 110.413 170.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 69.82 67.9 0.23 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.705 1.602 . . . . 0.0 109.511 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.292 0.4 OUTLIER 51.52 20.39 1.03 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.13 2.172 . . . . 0.0 114.408 -177.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -49.72 -38.08 31.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.339 1.455 . . . . 0.0 113.565 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 tp -149.49 97.76 3.5 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-O 118.099 -0.953 . . . . 0.0 108.497 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.71 69.45 2.86 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.778 2.985 . . . . 0.0 111.995 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.46 9.73 0.03 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.288 1.899 . . . . 0.0 112.48 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -168.12 73.9 0.11 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 . . . . . 0 CA--C 1.541 0.602 0 C-N-CA 124.334 1.053 . . . . 0.0 110.176 -170.721 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.912 1.079 . . . . 0.0 113.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -159.84 102.86 1.5 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.66 113.12 1.49 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -139.75 24.92 2.39 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.417 0.608 . . . . 0.0 112.485 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mm -50.3 147.75 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 128.492 2.717 . . . . 0.0 110.925 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -150.77 -169.2 3.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.48 1.112 . . . . 0.0 110.517 -164.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.5 p80 146.4 62.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 131.431 3.892 . . . . 0.0 108.356 -153.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.537 ' H ' ' CB ' ' A' ' 18' ' ' SER . . . -76.86 30.9 1.52 Allowed Glycine 0 CA--C 1.534 1.255 0 O-C-N 120.609 -1.307 . . . . 0.0 112.648 177.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -150.83 153.01 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.003 1.321 . . . . 0.0 108.713 -153.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -83.48 168.58 16.36 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.095 1.358 . . . . 0.0 111.708 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.38 172.83 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.181 0.992 . . . . 0.0 109.833 -150.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.05 80.22 2.49 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.22 1.28 . . . . 0.0 109.233 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt 73.3 175.2 0.27 Allowed 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 108.638 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttm 174.73 -45.66 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 129.235 3.014 . . . . 0.0 106.705 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -156.22 108.98 2.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.537 ' CB ' ' H ' ' A' ' 10' ' ' GLY . 70.2 m 125.31 115.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.53 3.532 . . . . 0.0 108.233 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.03 177.0 11.82 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 166.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.543 ' H ' HD13 ' A' ' 19' ' ' LEU . 3.7 t -160.8 -170.39 2.72 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.531 1.533 . . . . 0.0 108.437 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -134.13 -175.57 3.9 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.651 1.18 . . . . 0.0 111.022 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.41 98.41 4.86 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.28 2.632 . . . . 0.0 104.969 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -150.05 164.45 35.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -81.77 75.42 8.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.459 0.704 . . . . 0.0 110.912 -174.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.34 -0.91 6.05 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.318 0.961 . . . . 0.0 113.972 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 34.99 68.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.578 2.351 . . . . 0.0 116.644 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 10.8 -87.32 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.886 2.875 . . . . 0.0 113.172 154.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -149.14 168.35 23.45 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.347 1.859 . . . . 0.0 106.084 146.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.5 m -67.87 168.41 11.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 157.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -144.39 119.65 6.04 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.534 1.134 . . . . 0.0 108.268 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.19 -32.69 16.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 121.324 1.349 . . . . 0.0 112.094 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.476 ' CD ' ' H ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -160.16 -70.88 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.09 1.756 . . . . 0.0 106.856 157.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.476 ' H ' ' CD ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -111.02 -16.8 13.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.443 1.497 . . . . 0.0 111.843 -174.161 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.2 t80 48.49 56.09 8.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.509 1.524 . . . . 0.0 111.863 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mt -141.57 -63.44 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.173 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 163.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -65.14 141.19 68.49 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 144.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.31 -31.12 66.32 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -157.02 75.26 0.82 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -168.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t0 . . . . . 0 CA--C 1.535 0.373 0 C-N-CA 124.544 1.138 . . . . 0.0 110.512 171.044 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -132.75 -128.06 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.803 1.241 . . . . 0.0 108.979 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 168.64 -161.38 35.09 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 -168.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -165.14 -167.68 1.24 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.127 1.771 . . . . 0.0 107.381 -163.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 mm -114.42 158.45 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 127.989 2.516 . . . . 0.0 110.244 -163.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 2.1 tp -152.72 -172.51 4.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.105 2.162 . . . . 0.0 107.645 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.605 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -163.23 9.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.901 2.88 . . . . 0.0 111.89 -175.103 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.32 -80.58 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 126.547 2.023 . . . . 0.0 111.418 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -60.91 154.37 22.44 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 127.371 2.269 . . . . 0.0 109.564 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -82.38 169.0 16.94 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.574 1.15 . . . . 0.0 111.047 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp 56.64 -179.18 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.07 0.548 . . . . 0.0 109.643 -156.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -75.7 38.24 0.56 Allowed 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.218 1.945 . . . . 0.0 112.083 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -75.76 108.65 8.76 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 120.696 -1.252 . . . . 0.0 108.208 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 86.58 0.06 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.427 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.89 8.63 4.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.65 1.58 . . . . 0.0 113.092 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -165.69 -178.01 4.63 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 127.051 2.14 . . . . 0.0 106.618 167.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -150.37 -177.26 5.85 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.882 -2.266 . . . . 0.0 104.882 161.369 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.697 ' H ' HD13 ' A' ' 19' ' ' LEU . 11.2 t -156.05 163.05 40.16 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.2 mtm-85 -155.73 163.3 40.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.738 1.215 . . . . 0.0 107.747 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' HA3' ' A' ' 5' ' ' GLY . 89.8 m -58.4 142.71 47.57 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.44 0.462 . . . . 0.0 111.996 164.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -156.68 171.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.463 0.305 . . . . 0.0 110.52 157.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.02 -30.6 66.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.538 1.135 . . . . 0.0 112.981 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.85 86.6 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.025 -1.431 . . . . 0.0 113.421 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 71.62 123.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.27 2.228 . . . . 0.0 110.004 -166.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 2.22 102.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.97 3.308 . . . . 0.0 118.884 -177.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -79.22 -7.96 58.66 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.467 1.507 . . . . 0.0 114.751 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' HD22 ' A' ' 8' ' ' LEU . 58.9 m 20.16 90.42 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.887 3.275 . . . . 0.0 116.236 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 128.41 12.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -68.26 -61.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.722 2.948 . . . . 0.0 111.1 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 69.1 -52.74 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 130.0 3.32 . . . . 0.0 111.755 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 m -133.74 -4.86 2.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.581 2.352 . . . . 0.0 110.134 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.31 78.2 3.84 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.972 -1.08 . . . . 0.0 112.034 -167.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.75 89.69 0.1 Allowed Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.836 2.454 . . . . 0.0 110.663 -166.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.84 56.69 4.82 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.461 2.774 . . . . 0.0 112.051 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.47 3.85 1.92 Allowed Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.363 1.935 . . . . 0.0 112.682 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.1 t -167.78 76.71 0.15 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -167.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.7 t -123.69 -100.76 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.141 0.977 . . . . 0.0 110.321 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.95 -170.22 12.78 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 119.726 1.148 . . . . 0.0 112.57 -166.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.306 94.7 p -108.56 -126.55 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.591 0.818 . . . . 0.0 111.865 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mm -68.53 158.18 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.259 1.024 . . . . 0.0 110.235 -168.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -151.89 140.07 20.29 Favored 'General case' 0 C--O 1.227 -0.081 0 O-C-N 120.648 -1.282 . . . . 0.0 108.46 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 43.9 53.23 6.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.772 2.429 . . . . 0.0 112.743 166.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.62 39.2 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 90.79 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.399 1.88 . . . . 0.0 108.8 171.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.02 166.78 14.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.44 175.88 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.506 . . . . 0.0 109.269 -147.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.12 83.48 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.851 1.701 . . . . 0.0 110.439 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -109.35 -167.28 1.19 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.874 1.269 . . . . 0.0 110.858 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -68.65 66.24 0.13 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 154.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.3 110.25 1.19 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -30.44 128.69 0.12 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 129.457 3.103 . . . . 0.0 113.429 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -88.86 -59.74 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.239 0.927 . . . . 0.0 112.42 -166.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t 60.21 -175.99 0.11 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.239 1.018 . . . . 0.0 113.151 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -147.15 113.51 5.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.524 1.929 . . . . 0.0 107.37 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.46 143.52 42.58 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 164.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -150.92 -60.53 0.18 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.527 0.731 . . . . 0.0 111.689 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -155.15 20.43 0.43 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.84 3.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -149.02 176.97 9.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.988 1.315 . . . . 0.0 109.611 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt 78.87 118.82 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 129.608 3.163 . . . . 0.0 110.925 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -65.56 -19.9 66.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 117.461 -1.257 . . . . 0.0 111.531 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.6 m 67.52 157.62 0.13 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.889 1.276 . . . . 0.0 111.874 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.1 105.94 3.87 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.488 0.715 . . . . 0.0 109.895 -170.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -87.18 19.29 1.4 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.843 3.695 . . . . 0.0 112.231 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.65 -83.61 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.433 1.893 . . . . 0.0 109.433 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -138.26 1.56 2.22 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.079 0.952 . . . . 0.0 111.011 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.49 -40.64 75.28 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.374 1.07 . . . . 0.0 113.391 -161.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -160.04 106.45 1.41 Allowed Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.891 1.277 . . . . 0.0 107.645 162.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -70.9 172.19 14.24 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.955 2.437 . . . . 0.0 111.34 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.3 5.82 20.82 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 116.079 1.191 . . . . 0.0 116.079 166.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.84 15.68 10.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 165.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 CA--C 1.536 0.429 0 C-N-CA 126.311 1.844 . . . . 0.0 113.181 -169.713 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 24' ' ' HIS . 51.7 t-80 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.762 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER 65.75 -174.67 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.31 1.444 . . . . 0.0 112.397 170.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.73 128.91 2.08 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -126.0 135.43 51.79 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 165.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.17 160.36 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.391 1.076 . . . . 0.0 108.607 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.57 -104.11 0.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.897 1.679 . . . . 0.0 107.885 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -149.36 -0.32 0.49 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.627 1.171 . . . . 0.0 113.346 -160.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.89 61.88 4.67 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 125.594 1.568 . . . . 0.0 110.207 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m -62.39 63.49 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 129.454 3.101 . . . . 0.0 112.089 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.304 0.0 OUTLIER 55.54 -155.34 0.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.219 1.008 . . . . 0.0 111.042 175.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -28.32 -60.93 0.21 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.229 1.811 . . . . 0.0 111.584 167.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.89 35.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.464 4.776 . . . . 0.0 115.195 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -40.61 142.46 0.44 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.203 1.401 . . . . 0.0 113.817 165.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -107.61 -41.86 4.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 117.193 -1.384 . . . . 0.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.9 t -138.27 -71.29 0.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.045 1.293 . . . . 0.0 112.597 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -155.64 147.91 23.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.839 1.2 . . . . 0.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.15 155.0 27.66 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.55 1.54 . . . . 0.0 110.007 -174.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -151.01 159.53 44.51 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -158.12 178.63 9.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.72 159.68 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.348 -2.094 . . . . 0.0 105.348 154.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -142.23 172.86 12.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 1.8 t60 -76.59 50.32 0.67 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.482 1.913 . . . . 0.0 111.116 -171.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.99 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.162 1.363 . . . . 0.0 113.379 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -141.72 164.61 29.75 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.287 1.543 . . . . 0.0 110.387 -175.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER 70.44 156.05 0.15 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 128.508 2.723 . . . . 0.0 112.454 173.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.46 ' H ' HD23 ' A' ' 27' ' ' LEU . 37.1 m80 -138.8 21.23 2.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.365 1.466 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.1 m 73.47 115.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 128.171 2.589 . . . . 0.0 113.51 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.68 156.63 19.98 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.16 1.384 . . . . 0.0 109.107 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.71 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.52 3.48 . . . . 0.0 110.549 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -164.68 -53.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.977 1.711 . . . . 0.0 109.304 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -120.93 -8.02 9.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.301 1.04 . . . . 0.0 112.317 -173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 t80 61.08 -20.09 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.87 2.868 . . . . 0.0 116.508 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.72 -50.01 75.74 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.947 1.299 . . . . 0.0 112.389 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.33 72.0 6.13 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.492 2.128 . . . . 0.0 109.305 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.44 -30.58 2.11 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.686 2.565 . . . . 0.0 115.583 -166.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -149.97 26.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.741 0.816 . . . . 0.0 111.044 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.267 4.0 p30 . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 130.387 3.475 . . . . 0.0 119.155 -175.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.261 41.0 p-80 . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 110.922 -0.029 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.98 86.04 0.71 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.967 0.907 . . . . 0.0 111.418 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 -65.34 2.41 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.175 0.893 . . . . 0.0 111.649 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m 48.21 21.6 0.36 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mt -55.41 149.09 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.582 1.153 . . . . 0.0 108.789 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.96 130.48 35.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 163.45 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.578 2.351 . . . . 0.0 112.296 -174.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.19 28.29 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.181 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.02 152.49 41.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.437 1.118 . . . . 0.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -82.26 -170.83 3.11 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.744 1.618 . . . . 0.0 109.775 167.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp 60.47 -159.57 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -172.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.85 36.79 0.36 Allowed 'Trans proline' 0 CA--C 1.547 1.154 0 CA-C-N 124.147 2.517 . . . . 0.0 112.739 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 63.24 175.3 0.16 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.299 2.64 . . . . 0.0 111.072 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.28 -33.77 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 117.034 -1.46 . . . . 0.0 112.039 173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -149.86 167.26 27.08 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.798 1.636 . . . . 0.0 106.719 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -169.72 108.0 0.39 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.481 0.713 . . . . 0.0 111.554 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 tp -159.02 151.18 21.15 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.235 -0.291 . . . . 0.0 110.465 156.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 t -153.22 168.86 24.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 153.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -141.3 122.19 14.49 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 123.582 0.753 . . . . 0.0 110.458 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.97 85.62 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 150.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -106.59 -10.32 16.24 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.993 161.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.81 -42.14 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 130.104 3.362 . . . . 0.0 114.306 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.73 -8.84 87.07 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.541 1.067 . . . . 0.0 111.163 162.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -142.94 153.41 43.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.068 1.434 . . . . 0.0 108.386 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.16 -84.09 0.61 Allowed 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.084 2.554 . . . . 0.0 106.402 163.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 48.65 -75.84 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.696 1.198 . . . . 0.0 109.484 -147.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m 62.25 164.73 0.1 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 126.959 2.104 . . . . 0.0 111.203 -171.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -145.02 62.56 9.21 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 125.004 1.322 . . . . 0.0 109.891 171.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.92 -39.71 23.91 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.558 2.839 . . . . 0.0 108.626 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -134.07 -101.71 0.24 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 157.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -117.21 62.42 0.74 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.023 0.929 . . . . 0.0 108.71 -171.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -68.85 -21.24 64.28 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.098 -0.376 . . . . 0.0 111.088 173.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.1 tp -132.06 141.15 40.41 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 167.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.77 70.31 2.8 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.766 2.977 . . . . 0.0 111.113 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.81 14.71 1.76 Allowed Glycine 0 C--N 1.333 0.414 0 C-N-CA 126.075 1.798 . . . . 0.0 112.863 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.22 58.76 0.65 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 122.174 0.987 . . . . 0.0 109.345 -157.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 . . . . . 0 CA--C 1.537 0.476 0 C-N-CA 124.516 1.127 . . . . 0.0 112.959 174.47 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 m80 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 p -84.7 -173.2 4.59 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.213 -0.929 . . . . 0.0 110.409 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.49 133.25 3.9 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 165.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -118.74 157.56 27.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.011 1.724 . . . . 0.0 107.71 169.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -117.57 155.09 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 8.5 tp -163.89 -172.98 3.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 127.753 2.421 . . . . 0.0 109.081 -175.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.462 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 29.7 p-80 150.69 106.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.138 1 C-N-CA 132.664 4.386 . . . . 0.0 107.217 -167.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.17 105.34 0.25 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -136.45 112.52 9.7 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 175.32 6.91 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 124.077 0.861 . . . . 0.0 111.602 -176.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.67 -177.91 0.03 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 124.264 1.026 . . . . 0.0 109.277 -156.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.49 66.42 6.44 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 121.863 1.701 . . . . 0.0 109.473 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -63.81 1.1 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 53.12 91.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.797 2.839 . . . . 0.0 112.518 -173.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -165.55 -147.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m 89.74 137.49 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 128.379 2.672 . . . . 0.0 111.151 176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -149.92 -35.82 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.922 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t 65.33 172.3 0.21 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.547 1.139 . . . . 0.0 112.833 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -177.44 49.19 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.7 t -3.26 99.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.817 2.447 . . . . 0.0 114.61 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.92 164.64 26.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.282 1.039 . . . . 0.0 110.455 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.97 96.65 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.128 2.171 . . . . 0.0 109.918 163.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 7.83 84.25 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.937 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -146.42 137.96 24.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.63 2.215 . . . . 0.0 109.983 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.15 70.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.325 0.511 . . . . 0.0 112.222 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 25.23 59.62 0.05 Allowed 'General case' 0 C--O 1.239 0.504 0 C-N-CA 130.599 3.559 . . . . 0.0 113.823 168.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.68 164.04 10.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.236 0.541 . . . . 0.0 111.084 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.71 156.34 56.1 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -102.49 -48.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 115.678 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 100.4 2.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.172 3.389 . . . . 0.0 111.782 -166.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 36' ' ' PRO . 51.1 m -65.78 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 159.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.2 t80 58.99 -53.63 0.05 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.669 1.987 . . . . 0.0 113.534 -165.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' H ' ' HD2' ' A' ' 36' ' ' PRO . 48.8 mt -135.3 -68.56 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.07 1.748 . . . . 0.0 111.267 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 35' ' ' LEU . 88.3 Cg_endo -62.89 151.94 81.64 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 123.936 3.091 . . . . 0.0 108.328 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.06 -39.93 4.07 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 123.72 0.676 . . . . 0.0 112.365 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -175.18 85.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.263 1.025 . . . . 0.0 108.863 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 CA--C 1.532 0.265 0 C-N-CA 123.237 0.615 . . . . 0.0 109.805 166.024 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t60 . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.89 -85.17 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.54 1.136 . . . . 0.0 111.045 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.53 52.35 7.47 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.844 1.202 . . . . 0.0 113.699 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -94.72 72.49 3.6 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.54 1.67 . . . . 0.0 113.034 -150.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.05 126.05 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 120.908 -1.12 . . . . 0.0 111.546 177.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -95.59 -54.67 3.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.379 1.472 . . . . 0.0 111.827 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 48.34 29.05 1.81 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 165.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -143.26 121.4 1.69 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -168.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.06 166.89 24.78 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -170.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -67.42 171.67 5.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.84 0.456 . . . . 0.0 110.277 166.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.78 -169.43 0.01 OUTLIER Pre-proline 0 CA--C 1.554 1.131 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.032 -160.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.93 62.06 5.73 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 CA-C-N 123.262 2.201 . . . . 0.0 110.703 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 pttt 48.92 172.03 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 131.019 3.728 . . . . 0.0 114.985 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -133.9 18.58 3.82 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.01 1.724 . . . . 0.0 110.349 166.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 t 60.89 51.45 4.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.312 1.845 . . . . 0.0 112.962 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.598 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 53.9 m -30.65 117.9 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.87 2.868 . . . . 0.0 115.373 174.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.82 111.34 7.0 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.178 0.99 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.8 t -145.0 162.19 37.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 151.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -172.6 171.75 4.45 Favored 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.767 4.027 . . . . 0.0 102.905 173.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 t -151.12 104.08 3.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.47 86.78 6.27 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.9 -18.48 0.05 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.977 2.511 . . . . 0.0 115.037 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.5 -21.17 0.1 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 128.209 2.814 . . . . 0.0 111.353 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.12 169.1 17.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.84 1.32 . . . . 0.0 110.919 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt 69.08 -166.8 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.141 2.176 . . . . 0.0 110.703 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 174.4 175.01 0.17 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 130.064 3.346 . . . . 0.0 107.008 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.39 130.23 39.69 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.07 0.548 . . . . 0.0 110.299 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.3 mt -149.34 76.95 9.12 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 124.705 1.202 . . . . 0.0 109.615 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.32 12.24 1.61 Allowed 'Trans proline' 0 CA--C 1.539 0.768 1 C-N-CA 125.57 4.18 . . . . 0.0 113.124 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -73.74 37.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.562 2.745 . . . . 0.0 110.622 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.314 0.5 OUTLIER 52.9 -61.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 129.924 3.289 . . . . 0.0 112.801 -160.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 t80 47.57 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.479 3.111 . . . . 0.0 113.624 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -139.53 73.13 36.16 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.785 1.634 . . . . 0.0 106.971 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.61 65.73 8.62 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.895 3.063 . . . . 0.0 113.085 -155.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.02 86.77 Favored Glycine 0 C--N 1.334 0.458 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.5 t 61.16 11.43 3.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 125.018 1.327 . . . . 0.0 110.702 -175.355 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.28 44.42 2.97 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.934 0.894 . . . . 0.0 111.329 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' ' 21' ' ' ARG . . . 142.12 -134.72 6.28 Favored Glycine 0 C--N 1.341 0.843 0 CA-C-O 119.046 -0.864 . . . . 0.0 112.273 -171.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 178.06 157.34 0.42 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.652 1.581 . . . . 0.0 107.783 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.78 134.18 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 162.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -144.78 -111.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.155 1.782 . . . . 0.0 107.539 -175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 19.9 m170 -144.37 154.32 42.88 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.697 1.59 . . . . 0.0 108.046 -151.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.58 -100.11 0.13 Allowed Glycine 0 C--N 1.334 0.429 0 O-C-N 120.797 -1.189 . . . . 0.0 110.877 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.454 HG22 ' HG2' ' A' ' 15' ' ' LYS . 1.9 m 75.65 -35.22 0.26 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.099 1.76 . . . . 0.0 111.79 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 63.95 165.36 0.14 Allowed 'General case' 0 C--N 1.341 0.196 0 C-N-CA 131.466 3.906 . . . . 0.0 114.784 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.43 -173.17 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.23 -158.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.18 82.02 1.64 Allowed 'Trans proline' 0 CA--C 1.538 0.703 0 CA-C-N 122.036 1.763 . . . . 0.0 110.099 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -97.16 -82.1 0.41 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.214 1.006 . . . . 0.0 111.674 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.33 -62.98 0.34 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.141 -1.409 . . . . 0.0 109.589 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 25.2 p -156.69 163.65 39.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 120.216 1.371 . . . . 0.0 107.906 171.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 p -138.52 147.92 43.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.247 1.019 . . . . 0.0 111.64 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt 168.21 105.11 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 128.362 2.665 . . . . 0.0 110.332 -169.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 132.87 49.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.375 -1.298 . . . . 0.0 107.977 152.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 92.9 mtt180 -139.85 165.57 26.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 131.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 133.6 35.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -82.52 176.59 9.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.573 -1.329 . . . . 0.0 111.609 -170.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -77.68 52.7 1.03 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.528 1.531 . . . . 0.0 111.297 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.18 -15.33 0.41 Allowed Glycine 0 C--N 1.335 0.518 0 CA-C-O 118.311 -1.272 . . . . 0.0 114.906 165.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -153.31 156.42 38.35 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.403 -2.444 . . . . 0.0 104.403 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -66.92 0.32 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.834 -170.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 38.13 62.21 0.99 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.472 1.509 . . . . 0.0 112.664 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.38 126.91 14.14 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 174.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.74 135.49 0.26 Allowed Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 171.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.51 4.19 4.17 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 121.644 1.563 . . . . 0.0 112.511 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.15 -97.5 0.14 Allowed 'General case' 0 C--N 1.346 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.661 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -71.53 81.48 0.81 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.062 0.945 . . . . 0.0 109.909 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.26 25.77 0.99 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.784 -170.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -44.97 -51.19 23.9 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.489 168.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.78 100.71 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.154 1.236 . . . . 0.0 109.692 167.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.92 -45.69 0.64 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.81 75.15 0.53 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.829 0.823 . . . . 0.0 109.489 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 . . . . . 0 N--CA 1.463 0.224 0 C-N-CA 129.175 2.99 . . . . 0.0 113.279 170.143 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m80 . . . . . 0 N--CA 1.463 0.199 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.98 156.96 13.58 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 166.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.53 130.82 2.08 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.614 2.054 . . . . 0.0 109.273 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -145.54 150.81 37.11 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 120.156 1.978 . . . . 0.0 106.871 162.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.45 149.79 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.817 1.647 . . . . 0.0 107.373 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.94 -48.35 1.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.239 1.415 . . . . 0.0 111.74 -163.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER 70.94 20.75 5.25 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 120.371 1.441 . . . . 0.0 113.039 176.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.32 68.42 0.54 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.77 154.41 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 159.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.13 175.27 5.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.429 0.156 . . . . 0.0 110.582 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.26 32.6 mt 57.31 -156.91 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.239 0 CA-C-O 117.137 -1.411 . . . . 0.0 107.367 -166.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.46 31.66 0.38 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 CA-C-N 124.447 2.624 . . . . 0.0 113.635 -173.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 48.31 175.65 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 130.329 3.452 . . . . 0.0 113.827 -166.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 39' ' ' ASP . 3.3 ptmm? -143.39 38.3 1.39 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 175.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.6 m 93.39 -36.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.752 2.821 . . . . 0.0 109.738 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' HIS 0.334 2.2 p -139.74 155.96 47.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.611 1.672 . . . . 0.0 113.711 169.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.483 ' H ' ' H ' ' A' ' 9' ' ' HIS . 48.3 tp -124.28 165.23 18.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 103.443 -2.799 . . . . 0.0 103.443 137.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m 66.09 144.14 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 128.139 2.576 . . . . 0.0 115.972 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -148.86 -171.02 3.77 Favored 'General case' 0 N--CA 1.446 -0.632 1 C-N-CA 135.168 5.387 . . . . 0.0 101.675 165.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 t -120.84 150.39 41.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 150.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -75.55 2.44 11.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.17 0.588 . . . . 0.0 110.829 167.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 78.65 -39.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 129.001 2.92 . . . . 0.0 112.221 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.4 -6.13 36.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.099 1.333 . . . . 0.0 113.248 170.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -147.79 152.36 37.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 127.168 2.187 . . . . 0.0 105.134 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -68.53 0.36 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.065 0.393 . . . . 0.0 110.375 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 59.34 -57.34 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.813 2.445 . . . . 0.0 113.941 -167.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m 57.5 128.52 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.726 2.01 . . . . 0.0 111.828 -159.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -156.97 158.25 31.12 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 159.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.21 -28.9 27.42 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.107 3.205 . . . . 0.0 114.095 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.479 ' H ' HD12 ' A' ' 30' ' ' LEU . 25.7 tp60 66.5 -43.52 0.41 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 130.89 3.676 . . . . 0.0 112.324 -171.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 m -74.68 72.67 1.99 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.17 -69.59 0.47 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.177 0.591 . . . . 0.0 110.058 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -56.22 0.21 Allowed Pre-proline 0 CA--C 1.542 0.646 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.12 -173.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -80.44 165.67 20.61 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 CA-C-N 121.252 1.483 . . . . 0.0 111.295 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.29 -27.45 1.22 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.485 1.517 . . . . 0.0 114.588 167.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -167.36 74.05 0.13 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.579 1.152 . . . . 0.0 108.113 -172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 2.3 m-20 . . . . . 0 N--CA 1.47 0.573 0 C-N-CA 128.126 2.57 . . . . 0.0 113.308 163.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -75.88 70.57 2.63 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -145.88 156.98 43.91 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.621 1.168 . . . . 0.0 109.644 -177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -132.16 22.44 4.47 Favored 'General case' 0 CA--C 1.518 -0.26 0 C-N-CA 125.284 1.434 . . . . 0.0 110.52 176.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 22' ' ' CYS . 31.5 p -177.46 -175.37 0.54 Allowed 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.586 1.155 . . . . 0.0 110.8 172.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.57 -132.13 0.45 Allowed Glycine 0 CA--C 1.531 1.047 0 C-N-CA 126.149 1.833 . . . . 0.0 111.754 169.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.5 p -170.83 -145.31 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 -159.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 22.0 mm -132.2 153.85 39.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 127.624 2.369 . . . . 0.0 104.745 -175.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 0.5 OUTLIER -153.0 -169.31 3.3 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 -176.132 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.51 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 6.8 p-80 169.01 70.68 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 1 C-N-CA 131.921 4.088 . . . . 0.0 105.207 -171.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.4 ' N ' ' HB2' ' A' ' 18' ' ' SER . . . -68.52 81.51 0.21 Allowed Glycine 0 C--N 1.337 0.636 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 167.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -155.06 -55.72 0.1 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.015 1.726 . . . . 0.0 110.044 -171.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.261 1.2 p-90 48.52 172.3 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 128.053 2.541 . . . . 0.0 114.505 -165.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.4 mt 59.92 -168.4 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.305 0 CA-C-N 114.311 -1.313 . . . . 0.0 107.713 -172.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -77.86 71.8 6.41 Favored 'Trans proline' 0 CA--C 1.54 0.788 0 CA-C-N 122.878 2.064 . . . . 0.0 110.588 -176.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -136.83 153.1 50.88 Favored 'General case' 0 C--N 1.343 0.322 0 O-C-N 121.521 -0.737 . . . . 0.0 110.886 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.28 74.0 1.5 Allowed 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.251 1.421 . . . . 0.0 109.228 -173.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -148.17 141.97 25.71 Favored 'General case' 0 C--O 1.235 0.322 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 -177.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.4 ' HB2' ' N ' ' A' ' 10' ' ' GLY . 14.6 m 84.39 142.44 0.06 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.875 2.07 . . . . 0.0 110.834 -174.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' CD1' ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.7 -165.18 1.9 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.878 0.871 . . . . 0.0 109.494 -171.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 61.9 m -142.48 -171.23 3.37 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 128.628 2.771 . . . . 0.0 107.332 171.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -134.83 179.55 6.23 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 157.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 4' ' ' CYS . 0.9 OUTLIER -124.52 100.93 6.89 Favored 'General case' 0 N--CA 1.441 -0.924 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 167.361 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -128.21 159.61 34.66 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 169.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -61.22 -11.95 11.24 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 126.22 1.808 . . . . 0.0 114.831 -172.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 171.83 33.29 0.03 OUTLIER Glycine 0 CA--C 1.523 0.58 0 C-N-CA 124.433 1.016 . . . . 0.0 111.112 177.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -145.44 134.93 23.2 Favored 'General case' 0 C--N 1.341 0.225 0 N-CA-C 105.927 -1.879 . . . . 0.0 105.927 -173.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.8 tm? 57.75 100.67 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.743 1.617 . . . . 0.0 112.179 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -74.08 -88.61 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.624 -0.673 . . . . 0.0 109.864 168.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 20' ' ' CYS . 64.1 m -146.82 115.97 6.96 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 124.67 1.188 . . . . 0.0 109.239 -172.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -153.92 155.79 31.5 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 126.611 1.964 . . . . 0.0 108.595 -179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -69.56 -69.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.601 0 C-N-CA 123.365 2.71 . . . . 0.0 110.413 170.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 69.82 67.9 0.23 Allowed 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.705 1.602 . . . . 0.0 109.511 178.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.292 0.4 OUTLIER 51.52 20.39 1.03 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 127.13 2.172 . . . . 0.0 114.408 -177.623 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -49.72 -38.08 31.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.339 1.455 . . . . 0.0 113.565 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.6 tp -149.49 97.76 3.5 Favored Pre-proline 0 CA--C 1.538 0.486 0 CA-C-O 118.099 -0.953 . . . . 0.0 108.497 170.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -71.71 69.45 2.86 Favored 'Trans proline' 0 CA--C 1.541 0.827 0 C-N-CA 123.778 2.985 . . . . 0.0 111.995 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -174.46 9.73 0.03 OUTLIER Glycine 0 CA--C 1.528 0.877 0 C-N-CA 126.288 1.899 . . . . 0.0 112.48 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.3 t -168.12 73.9 0.11 Allowed 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 58.29 -162.67 0.22 Allowed 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.334 1.053 . . . . 0.0 110.176 -170.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.135 0 O-C-N 120.52 -1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.65 32.83 0.04 OUTLIER 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.927 1.691 . . . . 0.0 114.211 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -49.06 -65.34 0.58 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 128.025 2.53 . . . . 0.0 112.919 -165.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 46.57 30.05 1.04 Allowed 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.395 1.478 . . . . 0.0 113.912 -171.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.9 t -159.84 102.86 1.5 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 162.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 131.66 113.12 1.49 Allowed Glycine 0 C--N 1.339 0.723 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 166.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -139.75 24.92 2.39 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.417 0.608 . . . . 0.0 112.485 176.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 14.6 mm -50.3 147.75 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 128.492 2.717 . . . . 0.0 110.925 -174.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.5 tp -150.77 -169.2 3.32 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.48 1.112 . . . . 0.0 110.517 -164.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 7.5 p80 146.4 62.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 131.431 3.892 . . . . 0.0 108.356 -153.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.537 ' H ' ' CB ' ' A' ' 18' ' ' SER . . . -76.86 30.9 1.52 Allowed Glycine 0 CA--C 1.534 1.255 0 O-C-N 120.609 -1.307 . . . . 0.0 112.648 177.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.2 m -150.83 153.01 34.6 Favored 'General case' 0 C--O 1.232 0.175 0 C-N-CA 125.003 1.321 . . . . 0.0 108.713 -153.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -83.48 168.58 16.36 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.095 1.358 . . . . 0.0 111.708 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 mp 56.38 172.83 0.04 OUTLIER Pre-proline 0 CA--C 1.549 0.918 0 C-N-CA 124.181 0.992 . . . . 0.0 109.833 -150.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -75.05 80.22 2.49 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.22 1.28 . . . . 0.0 109.233 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt 73.3 175.2 0.27 Allowed 'General case' 0 C--N 1.347 0.488 0 C-N-CA 125.229 1.412 . . . . 0.0 108.638 -170.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttm 174.73 -45.66 0.01 OUTLIER 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 129.235 3.014 . . . . 0.0 106.705 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -156.22 108.98 2.62 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 -169.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.537 ' CB ' ' H ' ' A' ' 10' ' ' GLY . 70.2 m 125.31 115.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 130.53 3.532 . . . . 0.0 108.233 -169.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.2 OUTLIER -155.03 177.0 11.82 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 107.078 -1.452 . . . . 0.0 107.078 166.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.543 ' H ' HD13 ' A' ' 19' ' ' LEU . 3.7 t -160.8 -170.39 2.72 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 125.531 1.533 . . . . 0.0 108.437 178.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 56.5 mtt180 -134.13 -175.57 3.9 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.651 1.18 . . . . 0.0 111.022 -175.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -129.41 98.41 4.86 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 128.28 2.632 . . . . 0.0 104.969 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 t-105 -150.05 164.45 35.51 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 170.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -81.77 75.42 8.71 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.459 0.704 . . . . 0.0 110.912 -174.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.34 -0.91 6.05 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 124.318 0.961 . . . . 0.0 113.972 177.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 34.99 68.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 C-N-CA 127.578 2.351 . . . . 0.0 116.644 167.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 10.8 -87.32 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 128.886 2.875 . . . . 0.0 113.172 154.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.2 m-70 -149.14 168.35 23.45 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 126.347 1.859 . . . . 0.0 106.084 146.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.5 m -67.87 168.41 11.69 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 157.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -144.39 119.65 6.04 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.534 1.134 . . . . 0.0 108.268 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -70.19 -32.69 16.31 Favored 'Trans proline' 0 N--CA 1.447 -1.243 0 C-N-CA 121.324 1.349 . . . . 0.0 112.094 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.476 ' CD ' ' H ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -160.16 -70.88 0.07 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.09 1.756 . . . . 0.0 106.856 157.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.476 ' H ' ' CD ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -111.02 -16.8 13.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.443 1.497 . . . . 0.0 111.843 -174.161 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 65.2 t80 48.49 56.09 8.02 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.509 1.524 . . . . 0.0 111.863 -173.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mt -141.57 -63.44 0.02 OUTLIER Pre-proline 0 N--CA 1.462 0.173 0 N-CA-C 106.448 -1.686 . . . . 0.0 106.448 163.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -65.14 141.19 68.49 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 144.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.31 -31.12 66.32 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 170.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 45.6 t -157.02 75.26 0.82 Allowed 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -168.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -57.2 100.25 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.544 1.138 . . . . 0.0 110.512 171.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 O-C-N 121.527 -0.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -124.0 60.98 1.11 Allowed 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.06 1.344 . . . . 0.0 111.269 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -71.81 47.88 0.15 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.055 1.742 . . . . 0.0 113.128 -176.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -72.1 35.01 0.06 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.742 1.617 . . . . 0.0 112.989 177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -132.75 -128.06 0.18 Allowed 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.803 1.241 . . . . 0.0 108.979 -176.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.429 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . 168.64 -161.38 35.09 Favored Glycine 0 C--N 1.341 0.846 0 N-CA-C 116.848 1.499 . . . . 0.0 116.848 -168.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 t -165.14 -167.68 1.24 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.127 1.771 . . . . 0.0 107.381 -163.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.2 mm -114.42 158.45 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 127.989 2.516 . . . . 0.0 110.244 -163.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 2.1 tp -152.72 -172.51 4.26 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.105 2.162 . . . . 0.0 107.645 176.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.605 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -163.23 9.12 0.05 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 128.901 2.88 . . . . 0.0 111.89 -175.103 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 60.32 -80.58 0.01 OUTLIER Glycine 0 C--N 1.339 0.702 0 C-N-CA 126.547 2.023 . . . . 0.0 111.418 -171.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 94.7 m -60.91 154.37 22.44 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 127.371 2.269 . . . . 0.0 109.564 172.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 47.7 p-90 -82.38 169.0 16.94 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.574 1.15 . . . . 0.0 111.047 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mp 56.64 -179.18 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 123.07 0.548 . . . . 0.0 109.643 -156.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -75.7 38.24 0.56 Allowed 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 122.218 1.945 . . . . 0.0 112.083 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -75.76 108.65 8.76 Favored 'General case' 0 C--O 1.225 -0.227 0 O-C-N 120.696 -1.252 . . . . 0.0 108.208 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 86.58 0.06 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 119.227 0.921 . . . . 0.0 113.427 -175.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.2 m -130.89 8.63 4.84 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.65 1.58 . . . . 0.0 113.092 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -165.69 -178.01 4.63 Favored 'General case' 0 CA--C 1.518 -0.274 0 C-N-CA 127.051 2.14 . . . . 0.0 106.618 167.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.697 HD13 ' H ' ' A' ' 20' ' ' CYS . 0.3 OUTLIER -150.37 -177.26 5.85 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 104.882 -2.266 . . . . 0.0 104.882 161.369 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.697 ' H ' HD13 ' A' ' 19' ' ' LEU . 11.2 t -156.05 163.05 40.16 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 52.2 mtm-85 -155.73 163.3 40.05 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 124.738 1.215 . . . . 0.0 107.747 -169.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' HA3' ' A' ' 5' ' ' GLY . 89.8 m -58.4 142.71 47.57 Favored 'General case' 0 CA--C 1.533 0.301 0 O-C-N 123.44 0.462 . . . . 0.0 111.996 164.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -156.68 171.08 20.98 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 122.463 0.305 . . . . 0.0 110.52 157.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -58.02 -30.6 66.25 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.538 1.135 . . . . 0.0 112.981 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.83 3.85 86.6 Favored Glycine 0 CA--C 1.529 0.907 0 CA-C-O 118.025 -1.431 . . . . 0.0 113.421 -178.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 71.62 123.89 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 127.27 2.228 . . . . 0.0 110.004 -166.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER 2.22 102.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 129.97 3.308 . . . . 0.0 118.884 -177.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -79.22 -7.96 58.66 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.467 1.507 . . . . 0.0 114.751 -173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.402 ' HB3' HD22 ' A' ' 8' ' ' LEU . 58.9 m 20.16 90.42 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.887 3.275 . . . . 0.0 116.236 -173.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.32 128.41 12.79 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 -171.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo -68.26 -61.53 0.07 OUTLIER 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.722 2.948 . . . . 0.0 111.1 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 69.1 -52.74 0.59 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 130.0 3.32 . . . . 0.0 111.755 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 m -133.74 -4.86 2.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 127.581 2.352 . . . . 0.0 110.134 -177.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -77.31 78.2 3.84 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.972 -1.08 . . . . 0.0 112.034 -167.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 59.75 89.69 0.1 Allowed Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 127.836 2.454 . . . . 0.0 110.663 -166.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.84 56.69 4.82 Favored 'Trans proline' 0 CA--C 1.541 0.841 0 C-N-CA 123.461 2.774 . . . . 0.0 112.051 179.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -142.47 3.85 1.92 Allowed Glycine 0 CA--C 1.525 0.715 0 C-N-CA 126.363 1.935 . . . . 0.0 112.682 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.1 t -167.78 76.71 0.15 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 105.361 -2.089 . . . . 0.0 105.361 -167.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.46 -12.24 59.82 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.14 0 O-C-N 120.519 -1.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.007 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.71 159.89 16.12 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 122.59 0.356 . . . . 0.0 110.055 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . 33.61 -114.09 0.06 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.513 2.325 . . . . 0.0 110.78 -172.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -130.15 57.73 1.69 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 160.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.7 t -123.69 -100.76 0.4 Allowed 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.141 0.977 . . . . 0.0 110.321 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.95 -170.22 12.78 Favored Glycine 0 C--N 1.337 0.59 0 CA-C-N 119.726 1.148 . . . . 0.0 112.57 -166.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . 0.306 94.7 p -108.56 -126.55 0.26 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.591 0.818 . . . . 0.0 111.865 177.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 23.9 mm -68.53 158.18 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.259 1.024 . . . . 0.0 110.235 -168.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.4 tp -151.89 140.07 20.29 Favored 'General case' 0 C--O 1.227 -0.081 0 O-C-N 120.648 -1.282 . . . . 0.0 108.46 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.1 m-70 43.9 53.23 6.35 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 127.772 2.429 . . . . 0.0 112.743 166.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.84 -35.62 39.2 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 90.79 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.399 1.88 . . . . 0.0 108.8 171.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -87.02 166.78 14.79 Favored 'General case' 0 C--O 1.237 0.445 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 62.44 175.88 0.05 OUTLIER Pre-proline 0 CA--C 1.554 1.129 0 C-N-CA 125.466 1.506 . . . . 0.0 109.269 -147.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -75.12 83.48 1.83 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 121.851 1.701 . . . . 0.0 110.439 -176.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -109.35 -167.28 1.19 Allowed 'General case' 0 C--O 1.235 0.314 0 C-N-CA 124.874 1.269 . . . . 0.0 110.858 -176.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 pttp -68.65 66.24 0.13 Allowed 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 154.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.6 m -60.3 110.25 1.19 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 178.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.7 m -30.44 128.69 0.12 Allowed 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 129.457 3.103 . . . . 0.0 113.429 -172.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -88.86 -59.74 2.15 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 119.239 0.927 . . . . 0.0 112.42 -166.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t 60.21 -175.99 0.11 Allowed 'General case' 0 C--N 1.343 0.289 0 CA-C-O 122.239 1.018 . . . . 0.0 113.151 -174.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -147.15 113.51 5.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 126.524 1.929 . . . . 0.0 107.37 175.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.46 143.52 42.58 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 164.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -150.92 -60.53 0.18 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.527 0.731 . . . . 0.0 111.689 175.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -155.15 20.43 0.43 Allowed 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -174.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.39 44.84 3.92 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 109.211 -1.555 . . . . 0.0 109.211 -174.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -149.02 176.97 9.99 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.988 1.315 . . . . 0.0 109.611 -168.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 30.2 mt 78.87 118.82 0.06 Allowed 'General case' 0 C--O 1.234 0.282 0 C-N-CA 129.608 3.163 . . . . 0.0 110.925 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -65.56 -19.9 66.11 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 117.461 -1.257 . . . . 0.0 111.531 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 96.6 m 67.52 157.62 0.13 Allowed 'General case' 0 C--N 1.348 0.516 0 C-N-CA 124.889 1.276 . . . . 0.0 111.874 174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -147.1 105.94 3.87 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 123.488 0.715 . . . . 0.0 109.895 -170.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_endo -87.18 19.29 1.4 Allowed 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 124.843 3.695 . . . . 0.0 112.231 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -66.65 -83.61 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.433 1.893 . . . . 0.0 109.433 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.6 m -138.26 1.56 2.22 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.079 0.952 . . . . 0.0 111.011 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -56.49 -40.64 75.28 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.374 1.07 . . . . 0.0 113.391 -161.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 61.7 tp -160.04 106.45 1.41 Allowed Pre-proline 0 CA--C 1.54 0.561 0 C-N-CA 124.891 1.277 . . . . 0.0 107.645 162.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -70.9 172.19 14.24 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.955 2.437 . . . . 0.0 111.34 171.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.3 5.82 20.82 Favored Glycine 0 C--N 1.341 0.834 0 N-CA-C 116.079 1.191 . . . . 0.0 116.079 166.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.9 t 65.84 15.68 10.16 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 165.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -43.47 124.97 3.71 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.311 1.844 . . . . 0.0 113.181 -169.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 121.678 -0.639 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.229 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.08 1.67 4.41 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -73.79 -89.35 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 126.334 1.854 . . . . 0.0 109.628 174.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 24' ' ' HIS . 51.7 t-80 57.97 97.44 0.02 OUTLIER 'General case' 0 C--N 1.346 0.454 0 C-N-CA 126.358 1.863 . . . . 0.0 111.762 -158.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.282 0.0 OUTLIER 65.75 -174.67 0.18 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.31 1.444 . . . . 0.0 112.397 170.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.73 128.91 2.08 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 109.232 -1.547 . . . . 0.0 109.232 172.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -126.0 135.43 51.79 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 103.621 -2.733 . . . . 0.0 103.621 165.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.17 160.36 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.391 1.076 . . . . 0.0 108.607 -175.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -134.57 -104.11 0.23 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 125.897 1.679 . . . . 0.0 107.885 176.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 37.8 m80 -149.36 -0.32 0.49 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.627 1.171 . . . . 0.0 113.346 -160.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -83.89 61.88 4.67 Favored Glycine 0 C--N 1.335 0.487 0 C-N-CA 125.594 1.568 . . . . 0.0 110.207 177.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 m -62.39 63.49 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 129.454 3.101 . . . . 0.0 112.089 178.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . 0.304 0.0 OUTLIER 55.54 -155.34 0.28 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.219 1.008 . . . . 0.0 111.042 175.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -28.32 -60.93 0.21 Allowed Pre-proline 0 CA--C 1.553 1.08 0 C-N-CA 126.229 1.811 . . . . 0.0 111.584 167.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -81.89 35.58 0.59 Allowed 'Trans proline' 0 CA--C 1.546 1.109 1 C-N-CA 126.464 4.776 . . . . 0.0 115.195 176.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.0 pttt -40.61 142.46 0.44 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.203 1.401 . . . . 0.0 113.817 165.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -107.61 -41.86 4.92 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 117.193 -1.384 . . . . 0.0 111.747 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 50.9 t -138.27 -71.29 0.42 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 120.045 1.293 . . . . 0.0 112.597 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -155.64 147.91 23.67 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 119.839 1.2 . . . . 0.0 111.522 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 tt -80.15 155.0 27.66 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 125.55 1.54 . . . . 0.0 110.007 -174.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.4 t -151.01 159.53 44.51 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 105.295 -2.113 . . . . 0.0 105.295 172.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -158.12 178.63 9.99 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 104.608 -2.367 . . . . 0.0 104.608 173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.5 t -116.72 159.68 21.9 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 105.348 -2.094 . . . . 0.0 105.348 154.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -142.23 172.86 12.11 Favored 'General case' 0 C--O 1.237 0.422 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 176.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.426 ' HA ' ' HB3' ' A' ' 3' ' ' HIS . 1.8 t60 -76.59 50.32 0.67 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.482 1.913 . . . . 0.0 111.116 -171.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 107.36 19.99 8.97 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.162 1.363 . . . . 0.0 113.379 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 72.6 mt-30 -141.72 164.61 29.75 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.287 1.543 . . . . 0.0 110.387 -175.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 28' ' ' HIS . 0.2 OUTLIER 70.44 156.05 0.15 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 128.508 2.723 . . . . 0.0 112.454 173.352 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.46 ' H ' HD23 ' A' ' 27' ' ' LEU . 37.1 m80 -138.8 21.23 2.67 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.365 1.466 . . . . 0.0 112.377 -179.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 83.1 m 73.47 115.24 0.06 Allowed 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 128.171 2.589 . . . . 0.0 113.51 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 pp -161.68 156.63 19.98 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 125.16 1.384 . . . . 0.0 109.107 -177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -74.71 -69.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 124.52 3.48 . . . . 0.0 110.549 -176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 12.3 tp60 -164.68 -53.45 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.977 1.711 . . . . 0.0 109.304 170.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -120.93 -8.02 9.42 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.301 1.04 . . . . 0.0 112.317 -173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 t80 61.08 -20.09 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 128.87 2.868 . . . . 0.0 116.508 171.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.7 tp -50.72 -50.01 75.74 Favored Pre-proline 0 CA--C 1.546 0.815 0 C-N-CA 124.947 1.299 . . . . 0.0 112.389 170.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -77.33 72.0 6.13 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.492 2.128 . . . . 0.0 109.305 169.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -44.44 -30.58 2.11 Favored Glycine 0 C--N 1.339 0.702 0 C-N-CA 127.686 2.565 . . . . 0.0 115.583 -166.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 15.3 t -149.97 26.18 0.81 Allowed 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.741 0.816 . . . . 0.0 111.044 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . 0.267 4.0 p30 46.96 -11.41 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 130.387 3.475 . . . . 0.0 119.155 -175.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 121.185 1.811 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.66 165.73 11.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.362 1.065 . . . . 0.0 108.199 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -60.05 -16.82 34.48 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.916 1.286 . . . . 0.0 113.418 -179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . 0.261 41.0 p-80 46.15 -125.65 1.37 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.318 1.447 . . . . 0.0 110.922 178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.2 m -70.98 86.04 0.71 Allowed 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 123.967 0.907 . . . . 0.0 111.418 174.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.91 -65.34 2.41 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 124.175 0.893 . . . . 0.0 111.649 174.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.4 m 48.21 21.6 0.36 Allowed 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.175 1.546 . . . . 0.0 115.175 -171.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 46.6 mt -55.41 149.09 2.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 124.582 1.153 . . . . 0.0 108.789 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.6 tp -134.96 130.48 35.86 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 59.59 163.45 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.578 2.351 . . . . 0.0 112.296 -174.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -159.19 28.29 0.39 Allowed Glycine 0 CA--C 1.53 0.986 0 CA-C-N 113.955 -1.475 . . . . 0.0 112.181 174.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -144.02 152.49 41.09 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 118.437 1.118 . . . . 0.0 110.885 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.0 t90 -82.26 -170.83 3.11 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.744 1.618 . . . . 0.0 109.775 167.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp 60.47 -159.57 0.01 OUTLIER Pre-proline 0 CA--C 1.555 1.17 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 -172.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.2 Cg_endo -72.85 36.79 0.36 Allowed 'Trans proline' 0 CA--C 1.547 1.154 0 CA-C-N 124.147 2.517 . . . . 0.0 112.739 173.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.4 mptt 63.24 175.3 0.16 Allowed 'General case' 0 C--O 1.237 0.423 0 C-N-CA 128.299 2.64 . . . . 0.0 111.072 -178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -130.28 -33.77 1.68 Allowed 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 117.034 -1.46 . . . . 0.0 112.039 173.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -149.86 167.26 27.08 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 120.798 1.636 . . . . 0.0 106.719 168.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.1 m -169.72 108.0 0.39 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.481 0.713 . . . . 0.0 111.554 174.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.2 tp -159.02 151.18 21.15 Favored 'General case' 0 C--N 1.33 -0.253 0 O-C-N 122.235 -0.291 . . . . 0.0 110.465 156.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 19.8 t -153.22 168.86 24.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 153.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -141.3 122.19 14.49 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 123.582 0.753 . . . . 0.0 110.458 176.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.8 t -62.97 85.62 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 150.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 5.1 m0 -106.59 -10.32 16.24 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 119.231 -0.414 . . . . 0.0 109.993 161.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 63.81 -42.14 0.24 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 130.104 3.362 . . . . 0.0 114.306 171.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.73 -8.84 87.07 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 124.541 1.067 . . . . 0.0 111.163 162.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -142.94 153.41 43.03 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 119.068 1.434 . . . . 0.0 108.386 169.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.1 mt -127.16 -84.09 0.61 Allowed 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 128.084 2.554 . . . . 0.0 106.402 163.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 48.65 -75.84 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.696 1.198 . . . . 0.0 109.484 -147.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 84.6 m 62.25 164.73 0.1 Allowed 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 126.959 2.104 . . . . 0.0 111.203 -171.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 68.0 mt -145.02 62.56 9.21 Favored Pre-proline 0 CA--C 1.542 0.653 0 C-N-CA 125.004 1.322 . . . . 0.0 109.891 171.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -64.92 -39.71 23.91 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.558 2.839 . . . . 0.0 108.626 -177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.5 tp60 -134.07 -101.71 0.24 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 157.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 m -117.21 62.42 0.74 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.023 0.929 . . . . 0.0 108.71 -171.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -68.85 -21.24 64.28 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 122.098 -0.376 . . . . 0.0 111.088 173.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.1 tp -132.06 141.15 40.41 Favored Pre-proline 0 C--O 1.239 0.508 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 167.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -71.77 70.31 2.8 Favored 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 123.766 2.977 . . . . 0.0 111.113 176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.81 14.71 1.76 Allowed Glycine 0 C--N 1.333 0.414 0 C-N-CA 126.075 1.798 . . . . 0.0 112.863 -176.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -155.22 58.76 0.65 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-O 122.174 0.987 . . . . 0.0 109.345 -157.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -66.9 -9.39 37.49 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.516 1.127 . . . . 0.0 112.959 174.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.144 0 O-C-N 121.261 -0.899 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 pptp? -67.38 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -65.62 -65.11 0.72 Allowed 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.716 1.606 . . . . 0.0 110.571 -178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.9 m80 67.9 -177.67 0.21 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.964 1.306 . . . . 0.0 108.788 -166.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 p -84.7 -173.2 4.59 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 121.213 -0.929 . . . . 0.0 110.409 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -153.49 133.25 3.9 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 108.486 -1.845 . . . . 0.0 108.486 165.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 p -118.74 157.56 27.26 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.011 1.724 . . . . 0.0 107.71 169.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.1 mm -117.57 155.09 19.37 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 127.025 2.13 . . . . 0.0 109.592 -172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HG ' ' H ' ' A' ' 9' ' ' HIS . 8.5 tp -163.89 -172.98 3.03 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 127.753 2.421 . . . . 0.0 109.081 -175.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.462 ' H ' ' HG ' ' A' ' 8' ' ' LEU . 29.7 p-80 150.69 106.03 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.138 1 C-N-CA 132.664 4.386 . . . . 0.0 107.217 -167.579 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 154.17 105.34 0.25 Allowed Glycine 0 CA--C 1.521 0.432 0 N-CA-C 108.692 -1.763 . . . . 0.0 108.692 -174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -136.45 112.52 9.7 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 105.879 -1.897 . . . . 0.0 105.879 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 175.32 6.91 Favored 'General case' 0 C--O 1.237 0.4 0 O-C-N 124.077 0.861 . . . . 0.0 111.602 -176.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.67 -177.91 0.03 OUTLIER Pre-proline 0 CA--C 1.552 1.029 0 C-N-CA 124.264 1.026 . . . . 0.0 109.277 -156.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -75.49 66.42 6.44 Favored 'Trans proline' 0 CA--C 1.538 0.688 0 CA-C-N 121.863 1.701 . . . . 0.0 109.473 174.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -63.81 1.1 Allowed 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 171.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt 53.12 91.97 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 128.797 2.839 . . . . 0.0 112.518 -173.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -165.55 -147.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.1 m 89.74 137.49 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.095 0 C-N-CA 128.379 2.672 . . . . 0.0 111.151 176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -149.92 -35.82 0.16 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.922 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.6 t 65.33 172.3 0.21 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.547 1.139 . . . . 0.0 112.833 -178.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -177.44 49.19 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.963 1.097 . . . . 0.0 113.963 -175.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 47.7 t -3.26 99.06 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.817 2.447 . . . . 0.0 114.61 177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -74.92 164.64 26.34 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-O 122.282 1.039 . . . . 0.0 110.455 175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -40.97 96.65 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.128 2.171 . . . . 0.0 109.918 163.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 75.91 7.83 84.25 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-O 117.805 -1.553 . . . . 0.0 115.937 175.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -146.42 137.96 24.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.63 2.215 . . . . 0.0 109.983 -176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.15 70.8 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 118.325 0.511 . . . . 0.0 112.222 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 25.23 59.62 0.05 Allowed 'General case' 0 C--O 1.239 0.504 0 C-N-CA 130.599 3.559 . . . . 0.0 113.823 168.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 73.6 m -63.68 164.04 10.45 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 121.236 0.541 . . . . 0.0 111.084 177.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -144.71 156.34 56.1 Favored Pre-proline 0 C--O 1.24 0.575 0 N-CA-C 107.62 -1.252 . . . . 0.0 107.62 154.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -102.49 -48.68 0.01 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.914 1.743 . . . . 0.0 115.678 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 100.4 2.97 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 130.172 3.389 . . . . 0.0 111.782 -166.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 36' ' ' PRO . 51.1 m -65.78 -85.28 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 159.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 14.2 t80 58.99 -53.63 0.05 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 126.669 1.987 . . . . 0.0 113.534 -165.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' H ' ' HD2' ' A' ' 36' ' ' PRO . 48.8 mt -135.3 -68.56 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 126.07 1.748 . . . . 0.0 111.267 176.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' H ' ' A' ' 35' ' ' LEU . 88.3 Cg_endo -62.89 151.94 81.64 Favored 'Trans proline' 0 C--N 1.355 0.921 0 C-N-CA 123.936 3.091 . . . . 0.0 108.328 171.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -43.06 -39.93 4.07 Favored Glycine 0 C--N 1.34 0.771 0 C-N-CA 123.72 0.676 . . . . 0.0 112.365 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.6 t -175.18 85.78 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.263 1.025 . . . . 0.0 108.863 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -150.28 -69.64 0.19 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.237 0.615 . . . . 0.0 109.805 166.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.111 0 O-C-N 121.38 -0.825 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -146.19 22.57 1.36 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.702 0.801 . . . . 0.0 113.008 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . -62.03 174.71 0.81 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.965 1.306 . . . . 0.0 112.143 174.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -133.93 169.16 17.51 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.787 1.635 . . . . 0.0 108.501 -175.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.8 p -132.89 -85.17 0.46 Allowed 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.54 1.136 . . . . 0.0 111.045 -171.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 74.53 52.35 7.47 Favored Glycine 0 CA--C 1.531 1.061 0 CA-C-N 119.844 1.202 . . . . 0.0 113.699 176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.9 m -94.72 72.49 3.6 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 119.54 1.67 . . . . 0.0 113.034 -150.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.453 ' H ' HD12 ' A' ' 7' ' ' ILE . 0.4 OUTLIER -59.05 126.05 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.787 0 O-C-N 120.908 -1.12 . . . . 0.0 111.546 177.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -95.59 -54.67 3.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.379 1.472 . . . . 0.0 111.827 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 39.8 p-80 48.34 29.05 1.81 Allowed 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 117.067 2.247 . . . . 0.0 117.067 165.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.598 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -143.26 121.4 1.69 Allowed Glycine 0 C--N 1.335 0.482 0 N-CA-C 108.45 -1.86 . . . . 0.0 108.45 -168.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.06 166.89 24.78 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 106.932 -1.507 . . . . 0.0 106.932 -170.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -67.42 171.67 5.79 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.84 0.456 . . . . 0.0 110.277 166.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.78 -169.43 0.01 OUTLIER Pre-proline 0 CA--C 1.554 1.131 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.032 -160.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -74.93 62.06 5.73 Favored 'Trans proline' 0 CA--C 1.544 1.015 0 CA-C-N 123.262 2.201 . . . . 0.0 110.703 175.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 55.2 pttt 48.92 172.03 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 131.019 3.728 . . . . 0.0 114.985 -168.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -133.9 18.58 3.82 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.01 1.724 . . . . 0.0 110.349 166.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.1 t 60.89 51.45 4.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 126.312 1.845 . . . . 0.0 112.962 175.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.598 ' HB2' ' H ' ' A' ' 10' ' ' GLY . 53.9 m -30.65 117.9 0.17 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 128.87 2.868 . . . . 0.0 115.373 174.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.82 111.34 7.0 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.178 0.99 . . . . 0.0 110.946 179.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 28.8 t -145.0 162.19 37.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 106.085 -1.82 . . . . 0.0 106.085 151.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -172.6 171.75 4.45 Favored 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.767 4.027 . . . . 0.0 102.905 173.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 32.1 t -151.12 104.08 3.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 174.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -81.47 86.78 6.27 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -174.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 62.9 -18.48 0.05 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.977 2.511 . . . . 0.0 115.037 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 167.5 -21.17 0.1 OUTLIER Glycine 0 CA--C 1.536 1.393 0 C-N-CA 128.209 2.814 . . . . 0.0 111.353 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -81.12 169.1 17.85 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.84 1.32 . . . . 0.0 110.919 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 55.3 mt 69.08 -166.8 0.18 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 127.141 2.176 . . . . 0.0 110.703 -171.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 174.4 175.01 0.17 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 130.064 3.346 . . . . 0.0 107.008 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 85.2 m -73.39 130.23 39.69 Favored 'General case' 0 CA--C 1.521 -0.141 0 C-N-CA 123.07 0.548 . . . . 0.0 110.299 -178.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 59.3 mt -149.34 76.95 9.12 Favored Pre-proline 0 CA--C 1.542 0.644 0 C-N-CA 124.705 1.202 . . . . 0.0 109.615 173.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.32 12.24 1.61 Allowed 'Trans proline' 0 CA--C 1.539 0.768 1 C-N-CA 125.57 4.18 . . . . 0.0 113.124 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -73.74 37.13 0.09 Allowed 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 128.562 2.745 . . . . 0.0 110.622 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . 0.314 0.5 OUTLIER 52.9 -61.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 129.924 3.289 . . . . 0.0 112.801 -160.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.7 t80 47.57 -77.97 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 129.479 3.111 . . . . 0.0 113.624 -177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.2 tp -139.53 73.13 36.16 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 125.785 1.634 . . . . 0.0 106.971 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.61 65.73 8.62 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.895 3.063 . . . . 0.0 113.085 -155.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -77.2 -7.02 86.77 Favored Glycine 0 C--N 1.334 0.458 0 N-CA-C 116.075 1.19 . . . . 0.0 116.075 -168.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.5 t 61.16 11.43 3.49 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 114.731 1.382 . . . . 0.0 114.731 169.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -72.78 83.36 1.18 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.018 1.327 . . . . 0.0 110.702 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 121.54 -0.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.42 -150.91 0.47 Allowed 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.727 1.211 . . . . 0.0 110.795 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . . . 60.93 -70.04 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 129.155 2.982 . . . . 0.0 115.1 168.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 34.74 84.82 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.738 2.815 . . . . 0.0 114.266 -175.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.6 p -130.28 44.42 2.97 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.934 0.894 . . . . 0.0 111.329 175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.488 ' HA3' ' HB3' ' A' ' 21' ' ' ARG . . . 142.12 -134.72 6.28 Favored Glycine 0 C--N 1.341 0.843 0 CA-C-O 119.046 -0.864 . . . . 0.0 112.273 -171.245 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 m 178.06 157.34 0.42 Allowed 'General case' 0 C--N 1.347 0.469 0 C-N-CA 125.652 1.581 . . . . 0.0 107.783 -178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 34.9 mm -51.78 134.18 13.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.145 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 162.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -144.78 -111.91 0.1 Allowed 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 126.155 1.782 . . . . 0.0 107.539 -175.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' CG ' ' SG ' ' A' ' 17' ' ' CYS . 19.9 m170 -144.37 154.32 42.88 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 120.697 1.59 . . . . 0.0 108.046 -151.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -173.58 -100.11 0.13 Allowed Glycine 0 C--N 1.334 0.429 0 O-C-N 120.797 -1.189 . . . . 0.0 110.877 172.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 HG22 ' HG2' ' A' ' 15' ' ' LYS . 1.9 m 75.65 -35.22 0.26 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 126.099 1.76 . . . . 0.0 111.79 170.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 63.95 165.36 0.14 Allowed 'General case' 0 C--N 1.341 0.196 0 C-N-CA 131.466 3.906 . . . . 0.0 114.784 173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 53.43 -173.17 0.01 OUTLIER Pre-proline 0 CA--C 1.559 1.319 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.23 -158.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.18 82.02 1.64 Allowed 'Trans proline' 0 CA--C 1.538 0.703 0 CA-C-N 122.036 1.763 . . . . 0.0 110.099 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' HG2' HG22 ' A' ' 11' ' ' THR . 0.0 OUTLIER -97.16 -82.1 0.41 Allowed 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 124.214 1.006 . . . . 0.0 111.674 178.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.33 -62.98 0.34 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 117.141 -1.409 . . . . 0.0 109.589 -177.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' SG ' ' CG ' ' A' ' 9' ' ' HIS . 25.2 p -156.69 163.65 39.04 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 120.216 1.371 . . . . 0.0 107.906 171.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.8 p -138.52 147.92 43.67 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 124.247 1.019 . . . . 0.0 111.64 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.8 mt 168.21 105.11 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.192 0 C-N-CA 128.362 2.665 . . . . 0.0 110.332 -169.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -66.72 132.87 49.01 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 117.375 -1.298 . . . . 0.0 107.977 152.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.488 ' HB3' ' HA3' ' A' ' 5' ' ' GLY . 92.9 mtt180 -139.85 165.57 26.94 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.033 -1.469 . . . . 0.0 107.033 131.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.5 133.6 35.42 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 115.603 1.705 . . . . 0.0 115.603 -170.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -82.52 176.59 9.27 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 120.573 -1.329 . . . . 0.0 111.609 -170.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -77.68 52.7 1.03 Allowed 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.528 1.531 . . . . 0.0 111.297 -176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 156.18 -15.33 0.41 Allowed Glycine 0 C--N 1.335 0.518 0 CA-C-O 118.311 -1.272 . . . . 0.0 114.906 165.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -153.31 156.42 38.35 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 104.403 -2.444 . . . . 0.0 104.403 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.66 -66.92 0.32 Allowed 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 118.695 -0.669 . . . . 0.0 111.834 -170.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 38.13 62.21 0.99 Allowed 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.472 1.509 . . . . 0.0 112.664 -175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.38 126.91 14.14 Favored 'General case' 0 CA--C 1.512 -0.49 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 174.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.74 135.49 0.26 Allowed Pre-proline 0 N--CA 1.439 -0.988 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 171.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -73.51 4.19 4.17 Favored 'Trans proline' 0 CA--C 1.546 1.107 0 C-N-CA 121.644 1.563 . . . . 0.0 112.511 177.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -93.15 -97.5 0.14 Allowed 'General case' 0 C--N 1.346 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.661 177.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.5 m -71.53 81.48 0.81 Allowed 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.062 0.945 . . . . 0.0 109.909 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -148.26 25.77 0.99 Allowed 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.784 -170.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -44.97 -51.19 23.9 Favored Pre-proline 0 CA--C 1.537 0.445 0 CA-C-O 117.223 -1.37 . . . . 0.0 110.489 168.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.78 100.71 1.37 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 121.154 1.236 . . . . 0.0 109.692 167.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 150.92 -45.69 0.64 Allowed Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 t -160.81 75.15 0.53 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.829 0.823 . . . . 0.0 109.489 -175.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 39.77 63.98 0.94 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 129.175 2.99 . . . . 0.0 113.279 170.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 121.887 -0.508 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.187 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -103.33 73.58 1.22 Allowed 'General case' 0 C--O 1.234 0.258 0 C-N-CA 124.514 1.126 . . . . 0.0 108.982 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 2' ' ' GLU . . . -72.8 171.95 11.7 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.889 2.076 . . . . 0.0 110.66 173.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -135.05 122.83 22.34 Favored 'General case' 0 N--CA 1.463 0.199 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 -170.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.98 156.96 13.58 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 166.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -170.53 130.82 2.08 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.614 2.054 . . . . 0.0 109.273 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 p -145.54 150.81 37.11 Favored 'General case' 0 C--O 1.222 -0.344 0 CA-C-N 120.156 1.978 . . . . 0.0 106.871 162.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.3 mp -135.45 149.79 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 C-N-CA 125.817 1.647 . . . . 0.0 107.373 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 tt -126.94 -48.35 1.49 Allowed 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.239 1.415 . . . . 0.0 111.74 -163.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.659 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 0.9 OUTLIER 70.94 20.75 5.25 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-N 120.371 1.441 . . . . 0.0 113.039 176.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.32 68.42 0.54 Allowed Glycine 0 CA--C 1.521 0.438 0 N-CA-C 108.772 -1.731 . . . . 0.0 108.772 171.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.77 154.41 36.98 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 159.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.13 175.27 5.39 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 120.429 0.156 . . . . 0.0 110.582 174.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . 0.26 32.6 mt 57.31 -156.91 0.01 OUTLIER Pre-proline 0 CA--C 1.557 1.239 0 CA-C-O 117.137 -1.411 . . . . 0.0 107.367 -166.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.46 31.66 0.38 Allowed 'Trans proline' 0 CA--C 1.546 1.114 0 CA-C-N 124.447 2.624 . . . . 0.0 113.635 -173.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.8 pttm 48.31 175.65 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 130.329 3.452 . . . . 0.0 113.827 -166.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' O ' ' A' ' 39' ' ' ASP . 3.3 ptmm? -143.39 38.3 1.39 Allowed 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 175.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 92.6 m 93.39 -36.09 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 128.752 2.821 . . . . 0.0 109.738 170.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.659 ' HA ' ' HA ' ' A' ' 9' ' ' HIS 0.334 2.2 p -139.74 155.96 47.04 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.611 1.672 . . . . 0.0 113.711 169.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' H ' ' H ' ' A' ' 9' ' ' HIS . 48.3 tp -124.28 165.23 18.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 103.443 -2.799 . . . . 0.0 103.443 137.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.0 m 66.09 144.14 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 128.139 2.576 . . . . 0.0 115.972 -177.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -148.86 -171.02 3.77 Favored 'General case' 0 N--CA 1.446 -0.632 1 C-N-CA 135.168 5.387 . . . . 0.0 101.675 165.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 22.1 t -120.84 150.39 41.11 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 150.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -75.55 2.44 11.72 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.17 0.588 . . . . 0.0 110.829 167.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 78.65 -39.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 129.001 2.92 . . . . 0.0 112.221 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -106.4 -6.13 36.32 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.099 1.333 . . . . 0.0 113.248 170.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -147.79 152.36 37.57 Favored 'General case' 0 C--O 1.231 0.128 0 C-N-CA 127.168 2.187 . . . . 0.0 105.134 172.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.51 -68.53 0.36 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.065 0.393 . . . . 0.0 110.375 176.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 59.34 -57.34 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 127.813 2.445 . . . . 0.0 113.941 -167.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 22.9 m 57.5 128.52 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 126.726 2.01 . . . . 0.0 111.828 -159.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.479 HD12 ' H ' ' A' ' 32' ' ' GLN . 0.8 OUTLIER -156.97 158.25 31.12 Favored Pre-proline 0 CA--C 1.54 0.581 0 N-CA-C 106.599 -1.63 . . . . 0.0 106.599 159.536 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -51.21 -28.9 27.42 Favored 'Trans proline' 0 CA--C 1.544 0.999 0 C-N-CA 124.107 3.205 . . . . 0.0 114.095 -174.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' H ' HD12 ' A' ' 30' ' ' LEU . 25.7 tp60 66.5 -43.52 0.41 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 130.89 3.676 . . . . 0.0 112.324 -171.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.8 m -74.68 72.67 1.99 Allowed 'General case' 0 CA--C 1.534 0.363 0 N-CA-C 106.509 -1.663 . . . . 0.0 106.509 161.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -75.17 -69.59 0.47 Allowed 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.177 0.591 . . . . 0.0 110.058 -177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.78 -56.22 0.21 Allowed Pre-proline 0 CA--C 1.542 0.646 0 CA-C-O 117.953 -1.022 . . . . 0.0 112.12 -173.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -80.44 165.67 20.61 Favored 'Trans proline' 0 N--CA 1.455 -0.767 0 CA-C-N 121.252 1.483 . . . . 0.0 111.295 -169.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.29 -27.45 1.22 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 125.485 1.517 . . . . 0.0 114.588 167.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.1 t -167.36 74.05 0.13 Allowed 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.579 1.152 . . . . 0.0 108.113 -172.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.405 ' O ' ' HE2' ' A' ' 16' ' ' LYS . 2.3 m-20 36.28 60.02 0.9 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 128.126 2.57 . . . . 0.0 113.308 163.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 O-C-N 121.336 -0.853 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_