data_2myo_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 2myo _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' MET . . . . . 0.484 ' O ' ' HB2' ' A' ' 2' ' ' CYS . 3.5 ttm . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 108.927 -0.768 . . . . 6.46 108.927 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 1' ' ' MET . 60.1 m 62.52 10.59 4.13 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.13 -0.981 . . . . 2.86 108.734 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -56.47 -34.17 66.63 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.647 0.737 . . . . 1.99 109.142 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -73.84 -55.09 6.64 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.703 -0.851 . . . . 3.09 108.703 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -51.64 -28.79 15.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 2.65 109.231 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -77.99 -52.95 8.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.967 . . . . 2.27 109.546 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 8' ' ' TRP . 6.8 ptp -72.59 -38.68 67.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.801 -1.187 . . . . 1.44 109.0 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.42 ' N ' ' CG ' ' A' ' 7' ' ' MET . 50.6 t-105 -55.55 -14.28 2.0 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.408 -0.807 . . . . 2.33 109.018 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.1 -50.74 10.56 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.334 -0.854 . . . . 1.09 109.113 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 38' ' ' PRO . 3.7 mp -63.4 -10.62 17.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 1.28 109.199 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -90.87 -62.88 1.36 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.333 -0.855 . . . . 2.61 111.564 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.1 10.89 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.865 -1.147 . . . . 2.14 111.241 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 15' ' ' LEU . . . 75.34 19.01 79.82 Favored Glycine 0 N--CA 1.486 1.996 0 C-N-CA 119.607 -1.282 . . . . 0.34 110.87 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -70.09 50.98 0.12 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.011 -1.287 . . . . 1.45 109.169 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' H ' ' C ' ' A' ' 13' ' ' GLY . 2.6 tm? -42.56 -27.34 0.16 Allowed 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.677 0.751 . . . . 1.06 109.499 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.11 -33.6 76.16 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.183 -0.948 . . . . 1.2 110.289 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 14' ' ' ASP . 6.2 mt-10 -77.38 -44.5 29.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.083 -1.011 . . . . 2.16 110.653 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -69.53 -26.43 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.706 -1.246 . . . . 1.07 108.789 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -63.88 -27.79 69.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.26 -0.9 . . . . 1.9 108.728 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.46 -47.51 63.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.602 -0.686 . . . . 1.47 110.144 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -61.44 -53.54 55.22 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.082 -1.011 . . . . 3.19 110.325 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.1 t -65.59 -22.04 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.948 -1.095 . . . . 2.16 109.547 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.61 -17.97 50.23 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.653 -1.239 . . . . 1.15 107.653 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -61.43 -81.89 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.576 0.703 . . . . 2.94 109.176 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 26' ' ' GLU . . . -163.84 84.5 0.11 Allowed Glycine 0 N--CA 1.487 2.095 0 C-N-CA 119.843 -1.17 . . . . 0.6 110.455 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 25' ' ' GLY . 9.7 pt-20 34.86 98.06 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.821 -0.811 . . . . 1.96 110.856 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 26' ' ' GLU . 1.9 m-20 -142.4 56.67 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.227 -0.921 . . . . 1.74 109.412 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.426 ' C ' ' ND2' ' A' ' 29' ' ' ASN . 29.9 m -106.05 64.74 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.319 -0.863 . . . . 1.15 110.214 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.426 ' ND2' ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -173.91 34.45 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.887 -1.133 . . . . 1.17 108.818 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -103.91 141.87 35.39 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.41 -0.959 . . . . 4.21 108.41 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 m -57.3 97.1 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.273 -0.892 . . . . 1.7 109.135 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 33' ' ' GLU . 9.2 tt -46.89 -86.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 2.29 110.118 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' N ' ' CD2' ' A' ' 32' ' ' LEU . 23.5 tt0 -73.31 -73.63 0.2 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.096 -1.003 . . . . 2.84 109.513 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.68 -7.14 0.07 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.263 -1.535 . . . . 1.01 109.263 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' O ' ' NE2' ' A' ' 67' ' ' HIS . . . -165.72 16.5 0.09 OUTLIER Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.144 -1.182 . . . . 1.01 110.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.57 -173.42 2.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.018 -1.283 . . . . 3.25 109.386 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.588 ' HZ2' ' HD1' ' A' ' 67' ' ' HIS . 0.0 OUTLIER -132.19 154.57 81.69 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.118 -0.989 . . . . 2.92 109.28 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 6.3 Cg_endo -66.65 27.76 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.096 0 C-N-CA 122.107 1.871 . . . . 0.8 111.493 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.503 ' H ' ' C ' ' A' ' 37' ' ' LYS . 7.2 tp -126.75 -12.47 5.99 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.813 -1.179 . . . . 1.11 109.284 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.49 ' ND1' ' OG ' ' A' ' 74' ' ' SER . 3.0 t60 -78.05 -45.06 24.63 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.601 -0.889 . . . . 2.16 108.601 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -70.81 -36.0 72.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.387 -0.82 . . . . 1.12 109.001 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' O ' ' N ' ' A' ' 46' ' ' GLY . . . -68.42 -47.45 67.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 1.07 108.872 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.73 -56.43 13.68 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.901 -1.124 . . . . 1.05 109.098 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.654 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 9.3 t70 -53.83 -35.06 61.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.489 -0.757 . . . . 1.84 111.025 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 34.3 m -161.16 60.71 0.29 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.76 -1.212 . . . . 1.61 110.12 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -113.42 35.75 4.39 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.671 -1.372 . . . . 0.23 109.671 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 47' ' ' GLN . 1.6 mp0 47.93 16.32 0.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.116 -1.226 . . . . 1.72 108.701 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.51 ' N ' ' C ' ' A' ' 46' ' ' GLY . 0.1 OUTLIER 62.86 -3.38 0.32 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.298 0.571 . . . . 1.1 111.174 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' H ' ' C ' ' A' ' 47' ' ' GLN . 4.1 pt-20 -96.42 -34.81 11.39 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 120.916 -1.115 . . . . 1.53 109.011 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -39.34 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.499 -0.751 . . . . 1.01 111.674 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.751 ' CD1' ' H ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -60.57 -54.09 49.57 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.257 -1.377 . . . . 1.05 109.635 -178.017 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.534 ' H ' ' CD2' ' A' ' 51' ' ' LEU . 14.9 mt-10 -51.87 -34.07 39.29 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.808 -1.182 . . . . 2.43 110.078 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.438 ' C ' ' H ' ' A' ' 55' ' ' LEU . 45.5 t80 -61.79 -86.95 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.319 -0.863 . . . . 0.75 112.167 -177.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.713 HD11 ' N ' ' A' ' 54' ' ' LEU . 0.0 OUTLIER -53.3 -6.68 0.07 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.358 -0.839 . . . . 1.98 111.521 -177.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 54' ' ' LEU . 4.3 tt -87.98 -42.61 12.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.641 -1.287 . . . . 1.12 109.602 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.31 -27.23 68.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.054 -1.028 . . . . 2.0 110.13 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -89.85 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.126 -0.984 . . . . 2.47 108.716 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.66 -112.38 0.3 Allowed Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.673 -1.771 . . . . 0.38 108.673 179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.635 ' C ' ' H ' ' A' ' 61' ' ' ILE . . . 175.13 59.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.152 -1.204 . . . . 1.03 110.887 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 62' ' ' ASN . 11.8 t70 -69.98 6.21 1.31 Allowed 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 106.665 -1.606 . . . . 1.26 106.665 177.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.635 ' H ' ' C ' ' A' ' 59' ' ' ALA . 12.0 tt -57.37 -10.08 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 115.239 -0.891 . . . . 1.04 109.704 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.753 ' N ' HD21 ' A' ' 62' ' ' ASN . 0.0 OUTLIER -152.76 -25.38 0.16 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.837 . . . . 0.63 110.342 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.654 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -32.18 -51.77 0.55 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.494 -0.754 . . . . 1.23 112.491 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 63' ' ' ALA . 38.8 Cg_exo -27.74 121.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 122.41 2.073 . . . . 0.5 112.524 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -128.67 -44.14 1.36 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.828 -0.805 . . . . 1.29 108.828 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -83.97 -19.74 34.08 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.471 -0.937 . . . . 2.7 108.471 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.588 ' HD1' ' HZ2' ' A' ' 37' ' ' LYS . 15.1 m170 -80.21 -1.54 40.98 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.763 -0.829 . . . . 2.84 108.763 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER 38.28 25.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.859 -0.526 . . . . 4.45 109.985 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -163.32 143.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.86 -1.15 . . . . 1.07 110.173 -178.845 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.625 ' OG1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -97.25 158.03 33.91 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 108.714 -0.847 . . . . 1.8 108.714 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.625 ' HD2' ' OG1' ' A' ' 70' ' ' THR . 2.4 Cg_endo -65.89 -20.74 58.03 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.421 2.081 . . . . 0.69 114.408 -176.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.633 ' CD1' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.32 -38.68 77.6 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 119.539 -1.976 . . . . 1.1 108.877 -178.602 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' O ' ' CE1' ' A' ' 77' ' ' TYR . 5.1 mp -70.05 -24.43 63.26 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.045 -1.062 . . . . 1.07 108.509 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.49 ' OG ' ' ND1' ' A' ' 40' ' ' HIS . 13.4 t -55.68 -43.65 76.57 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.935 -1.103 . . . . 1.25 108.739 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -70.82 -33.07 70.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.533 -0.73 . . . . 1.04 109.79 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' C ' ' H ' ' A' ' 78' ' ' GLU . 2.4 t -47.54 -67.73 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.077 -1.015 . . . . 1.15 109.758 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.461 ' CE1' ' O ' ' A' ' 73' ' ' LEU . 0.1 OUTLIER -73.83 38.23 0.1 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.859 -1.151 . . . . 0.95 109.547 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' H ' ' C ' ' A' ' 76' ' ' VAL . 40.0 tp10 -125.29 -21.96 4.47 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.232 -0.918 . . . . 2.06 109.673 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.97 85.13 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.694 -1.363 . . . . 0.27 109.694 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.806 ' O ' ' N ' ' A' ' 82' ' ' SER . 2.0 m-70 -81.04 -51.09 8.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -1.195 . . . . 0.71 108.987 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.512 HG21 ' O ' ' A' ' 80' ' ' HIS . 2.3 m 38.41 3.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 122.048 -0.407 . . . . 1.1 112.082 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.806 ' N ' ' O ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -76.85 -23.09 52.69 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.326 -1.484 . . . . 1.39 107.321 178.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -86.53 -55.63 3.8 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.184 -0.673 . . . . 1.45 109.184 178.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.483 ' C ' ' O ' ' A' ' 83' ' ' CYS . 10.3 m -38.89 -28.97 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.077 -1.014 . . . . 1.07 109.657 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.3 tttt -70.91 -72.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.267 -0.895 . . . . 2.19 109.997 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.608 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.33 -4.26 0.81 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.41 -1.432 . . . . 1.89 109.049 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' H ' ' C ' ' A' ' 85' ' ' LYS . 0.4 OUTLIER -75.07 -71.69 0.34 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.04 -1.038 . . . . 1.12 110.674 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.603 HD12 ' N ' ' A' ' 89' ' ' SER . 0.0 OUTLIER -49.58 -15.67 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.579 -1.326 . . . . 1.59 109.64 -178.482 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.603 ' N ' HD12 ' A' ' 88' ' ' LEU . 8.8 t -59.88 -14.66 16.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.753 -1.203 . . . . 1.73 107.753 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -104.72 -6.19 20.6 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.738 -0.838 . . . . 2.73 108.738 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.649 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . 122.25 -84.88 0.38 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.46 -1.856 . . . . 0.42 108.46 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.477 ' O ' ' C ' ' A' ' 93' ' ' ASP . . . 37.13 21.37 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.671 -0.899 . . . . 1.07 110.245 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 94' ' ' LYS . 11.3 t0 35.4 -126.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.284 -0.885 . . . . 2.04 110.886 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.694 ' HZ3' ' CG2' ' A' ' 103' ' ' THR . 0.0 OUTLIER -158.76 -32.81 0.07 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.988 -1.116 . . . . 4.54 107.988 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.511 ' OG1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -143.41 61.15 1.39 Allowed 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 107.863 -1.162 . . . . 2.13 107.863 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.421 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 2.1 t -83.86 -11.68 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 1.72 111.729 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.38 5.36 0.06 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.8 -1.812 . . . . 2.49 112.739 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.59 171.54 46.95 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.001 -2.039 . . . . 0.39 108.001 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -51.07 -61.23 0.58 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 N-CA-C 108.02 -1.569 . . . . 0.61 108.02 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.493 ' C ' ' H ' ' A' ' 102' ' ' LEU . 48.6 t0 -166.12 -125.94 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 108.774 -0.825 . . . . 1.3 108.774 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.94 4.55 1.59 Allowed Glycine 0 N--CA 1.484 1.851 0 N-CA-C 109.708 -1.357 . . . . 0.57 109.708 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.71 ' O ' ' C ' ' A' ' 103' ' ' THR . 6.5 tt -51.98 -61.25 2.38 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.867 -1.372 . . . . 1.25 108.817 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.71 ' C ' ' O ' ' A' ' 102' ' ' LEU . 0.5 OUTLIER 8.56 -105.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.367 0.603 . . . . 1.39 110.208 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.475 ' H ' ' CG2' ' A' ' 103' ' ' THR . . . -90.82 -29.1 17.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 1.18 111.323 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.82 -72.97 0.09 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.071 -1.018 . . . . 1.35 112.225 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.71 4.8 17.62 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.745 -1.222 . . . . 2.98 110.68 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 103' ' ' THR . . . -77.22 -61.84 1.85 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.953 -1.092 . . . . 1.09 110.66 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 109' ' ' ASP . 7.1 t -147.43 -145.63 0.18 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.733 -1.229 . . . . 1.11 111.109 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.472 ' N ' ' OG1' ' A' ' 108' ' ' THR . 27.0 t70 -147.28 1.71 0.74 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.464 -0.772 . . . . 1.22 110.891 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.559 HD22 ' HB ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -78.19 155.85 30.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.524 -1.36 . . . . 0.86 109.766 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -77.47 -2.32 34.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.335 -0.853 . . . . 2.05 111.241 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.69 -49.14 10.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.563 -1.336 . . . . 1.07 109.848 -178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.559 ' HB ' HD22 ' A' ' 110' ' ' ASN . 1.6 mp -68.32 -44.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.021 -1.474 . . . . 1.23 107.021 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -56.02 -20.41 16.61 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.569 -1.271 . . . . 2.16 107.569 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.12 -37.67 83.64 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.278 -1.008 . . . . 1.14 108.278 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.434 HD21 ' O ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -70.15 -18.07 63.21 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.326 -0.99 . . . . 1.18 108.326 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 117' ' ' LEU . 0.1 OUTLIER -82.59 -5.07 58.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.065 -1.022 . . . . 2.35 108.625 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 C--N 1.307 -1.246 0 O-C-N 120.901 -1.124 . . . . 3.63 109.044 179.026 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 2' ' ' CYS . 3.5 ttm . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 108.927 -0.768 . . . . 6.11 108.927 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 1' ' ' MET . 60.1 m 62.52 10.59 4.13 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.13 -0.981 . . . . 2.65 108.734 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -56.47 -34.17 66.63 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.647 0.737 . . . . 1.99 109.142 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -73.84 -55.09 6.64 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.703 -0.851 . . . . 2.6 108.703 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -51.64 -28.79 15.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 2.65 109.231 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -77.99 -52.95 8.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.967 . . . . 1.69 109.546 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 8' ' ' TRP . 6.8 ptp -72.59 -38.68 67.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.801 -1.187 . . . . 1.21 109.0 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.42 ' N ' ' CG ' ' A' ' 7' ' ' MET . 50.6 t-105 -55.55 -14.28 2.0 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.408 -0.807 . . . . 1.94 109.018 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -79.1 -50.74 10.56 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.334 -0.854 . . . . 0.32 109.113 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.54 ' HG ' HG11 ' A' ' 18' ' ' VAL . 3.7 mp -63.4 -10.62 17.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.65 109.199 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -90.87 -62.88 1.36 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.333 -0.855 . . . . 2.2 111.564 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.1 10.89 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.865 -1.147 . . . . 1.93 111.241 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 15' ' ' LEU . . . 75.34 19.01 79.82 Favored Glycine 0 N--CA 1.486 1.996 0 C-N-CA 119.607 -1.282 . . . . 0.31 110.87 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -70.09 50.98 0.12 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.011 -1.287 . . . . 1.45 109.169 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' GLY . 2.6 tm? -42.56 -27.34 0.16 Allowed 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.677 0.751 . . . . 0.31 109.499 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.11 -33.6 76.16 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.183 -0.948 . . . . 1.2 110.289 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.38 -44.5 29.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.083 -1.011 . . . . 2.16 110.653 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -69.53 -26.43 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.706 -1.246 . . . . 0.32 108.789 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -63.88 -27.79 69.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.26 -0.9 . . . . 1.34 108.728 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.46 -47.51 63.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.602 -0.686 . . . . 1.47 110.144 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -61.44 -53.54 55.22 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.082 -1.011 . . . . 2.96 110.325 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.1 t -65.59 -22.04 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.948 -1.095 . . . . 1.59 109.547 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.61 -17.97 50.23 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.653 -1.239 . . . . 0.54 107.653 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -61.43 -81.89 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.576 0.703 . . . . 2.52 109.176 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 26' ' ' GLU . . . -163.84 84.5 0.11 Allowed Glycine 0 N--CA 1.487 2.095 0 C-N-CA 119.843 -1.17 . . . . 0.53 110.455 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 25' ' ' GLY . 9.7 pt-20 34.86 98.06 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.821 -0.811 . . . . 1.96 110.856 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 26' ' ' GLU . 1.9 m-20 -142.4 56.67 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.227 -0.921 . . . . 1.74 109.412 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.611 HG21 ' H ' ' A' ' 58' ' ' GLY . 29.9 m -106.05 64.74 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.319 -0.863 . . . . 0.47 110.214 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -173.91 34.45 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.887 -1.133 . . . . 1.17 108.818 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -103.91 141.87 35.39 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.41 -0.959 . . . . 3.54 108.41 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 m -57.3 97.1 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.273 -0.892 . . . . 1.33 109.135 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 33' ' ' GLU . 9.2 tt -46.89 -86.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 1.45 110.118 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.769 ' N ' HD23 ' A' ' 32' ' ' LEU . 23.5 tt0 -73.31 -73.63 0.2 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.096 -1.003 . . . . 2.84 109.513 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.68 -7.14 0.07 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.263 -1.535 . . . . 0.93 109.263 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' O ' ' NE2' ' A' ' 67' ' ' HIS . . . -165.72 16.5 0.09 OUTLIER Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.144 -1.182 . . . . 1.01 110.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.57 -173.42 2.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.018 -1.283 . . . . 2.76 109.386 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -132.19 154.57 81.69 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.118 -0.989 . . . . 2.47 109.28 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 6.3 Cg_endo -66.65 27.76 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.096 0 C-N-CA 122.107 1.871 . . . . 0.66 111.493 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD13 HD11 ' A' ' 54' ' ' LEU . 7.2 tp -126.75 -12.47 5.99 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.813 -1.179 . . . . 0.36 109.284 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' ND1' ' OG ' ' A' ' 74' ' ' SER . 3.0 t60 -78.05 -45.06 24.63 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.601 -0.889 . . . . 1.21 108.601 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CD1' HD13 ' A' ' 32' ' ' LEU . 35.0 m-85 -70.81 -36.0 72.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.387 -0.82 . . . . 0.7 109.001 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -68.42 -47.45 67.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.22 108.872 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.73 -56.43 13.68 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.901 -1.124 . . . . 0.26 109.098 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.638 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 9.3 t70 -53.83 -35.06 61.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.489 -0.757 . . . . 1.84 111.025 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 34.3 m -161.16 60.71 0.29 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.76 -1.212 . . . . 1.09 110.12 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -113.42 35.75 4.39 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.671 -1.372 . . . . 0.22 109.671 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 47' ' ' GLN . 0.6 OUTLIER 47.93 16.32 0.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.116 -1.226 . . . . 1.56 108.701 -179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.691 ' O ' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER 62.86 -3.38 0.32 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.298 0.571 . . . . 0.34 111.174 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 47' ' ' GLN . 4.1 pt-20 -96.42 -34.81 11.39 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 120.916 -1.115 . . . . 1.53 109.011 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -66.8 -39.34 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.499 -0.751 . . . . 0.25 111.674 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 1.04 HD13 ' H ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -60.57 -54.09 49.57 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.257 -1.377 . . . . 0.25 109.635 -178.017 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.712 ' H ' HD22 ' A' ' 51' ' ' LEU . 14.9 mt-10 -51.87 -34.07 39.29 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.808 -1.182 . . . . 2.43 110.078 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -61.79 -86.95 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.319 -0.863 . . . . 0.62 112.167 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.984 HD13 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -53.3 -6.68 0.07 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.358 -0.839 . . . . 1.38 111.521 -177.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.984 ' N ' HD13 ' A' ' 54' ' ' LEU . 4.3 tt -87.98 -42.61 12.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.641 -1.287 . . . . 0.36 109.602 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.31 -27.23 68.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.054 -1.028 . . . . 1.46 110.13 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -89.85 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.126 -0.984 . . . . 1.96 108.716 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.611 ' H ' HG21 ' A' ' 28' ' ' VAL . . . -80.66 -112.38 0.3 Allowed Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.673 -1.771 . . . . 0.31 108.673 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.611 ' C ' ' H ' ' A' ' 61' ' ' ILE . . . 175.13 59.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.152 -1.204 . . . . 0.29 110.887 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.98 6.21 1.31 Allowed 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 106.665 -1.606 . . . . 1.26 106.665 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 92' ' ' ALA . 12.0 tt -57.37 -10.08 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 115.239 -0.891 . . . . 0.3 109.704 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.56 ' C ' ' HD2' ' A' ' 64' ' ' PRO . 32.2 p-10 -152.76 -25.38 0.16 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.837 . . . . 0.63 110.342 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.677 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -32.18 -51.77 0.55 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.494 -0.754 . . . . 0.57 112.491 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 63' ' ' ALA . 38.8 Cg_exo -27.74 121.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 122.41 2.073 . . . . 0.44 112.524 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -128.67 -44.14 1.36 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.828 -0.805 . . . . 1.29 108.828 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -83.97 -19.74 34.08 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.471 -0.937 . . . . 2.22 108.471 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.552 ' NE2' ' O ' ' A' ' 35' ' ' GLY . 15.1 m170 -80.21 -1.54 40.98 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.763 -0.829 . . . . 2.13 108.763 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER 38.28 25.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.859 -0.526 . . . . 3.47 109.985 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -163.32 143.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.86 -1.15 . . . . 0.44 110.173 -178.845 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.637 ' OG1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -97.25 158.03 33.91 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 108.714 -0.847 . . . . 1.2 108.714 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.637 ' HD2' ' OG1' ' A' ' 70' ' ' THR . 2.4 Cg_endo -65.89 -20.74 58.03 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.421 2.081 . . . . 0.59 114.408 -176.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.916 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.32 -38.68 77.6 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 119.539 -1.976 . . . . 0.39 108.877 -178.602 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 5.1 mp -70.05 -24.43 63.26 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.045 -1.062 . . . . 0.23 108.509 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.452 ' OG ' ' ND1' ' A' ' 40' ' ' HIS . 13.4 t -55.68 -43.65 76.57 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.935 -1.103 . . . . 0.85 108.739 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -70.82 -33.07 70.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.533 -0.73 . . . . 0.21 109.79 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 113' ' ' ILE . 2.4 t -47.54 -67.73 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.077 -1.015 . . . . 0.43 109.758 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -73.83 38.23 0.1 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.859 -1.151 . . . . 0.3 109.547 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 44' ' ' ASP . 40.0 tp10 -125.29 -21.96 4.47 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.232 -0.918 . . . . 2.06 109.673 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.97 85.13 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.694 -1.363 . . . . 0.26 109.694 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.806 ' O ' ' N ' ' A' ' 82' ' ' SER . 2.0 m-70 -81.04 -51.09 8.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -1.195 . . . . 0.51 108.987 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.3 m 38.41 3.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 122.048 -0.407 . . . . 0.31 112.082 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.806 ' N ' ' O ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -76.85 -23.09 52.69 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.326 -1.484 . . . . 0.95 107.321 178.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -86.53 -55.63 3.8 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.184 -0.673 . . . . 0.97 109.184 178.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.483 ' C ' ' O ' ' A' ' 83' ' ' CYS . 10.3 m -38.89 -28.97 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.077 -1.014 . . . . 0.28 109.657 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.3 tttt -70.91 -72.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.267 -0.895 . . . . 1.74 109.997 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.082 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.33 -4.26 0.81 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.41 -1.432 . . . . 1.36 109.049 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.83 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -75.07 -71.69 0.34 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.04 -1.038 . . . . 0.37 110.674 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.808 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -49.58 -15.67 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.579 -1.326 . . . . 0.99 109.64 -178.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.647 ' N ' HD13 ' A' ' 88' ' ' LEU . 8.8 t -59.88 -14.66 16.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.753 -1.203 . . . . 1.31 107.753 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -104.72 -6.19 20.6 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.738 -0.838 . . . . 2.27 108.738 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.649 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . 122.25 -84.88 0.38 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.46 -1.856 . . . . 0.35 108.46 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.961 ' HB2' HD11 ' A' ' 61' ' ' ILE . . . 37.13 21.37 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.671 -0.899 . . . . 0.35 110.245 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 94' ' ' LYS . 11.3 t0 35.4 -126.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.284 -0.885 . . . . 2.04 110.886 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.68 ' NZ ' HG21 ' A' ' 103' ' ' THR . 0.0 OUTLIER -158.76 -32.81 0.07 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.988 -1.116 . . . . 4.1 107.988 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.53 ' OG1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -143.41 61.15 1.39 Allowed 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 107.863 -1.162 . . . . 1.73 107.863 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.631 HG23 ' CB ' ' A' ' 93' ' ' ASP . 2.1 t -83.86 -11.68 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 1.15 111.729 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.38 5.36 0.06 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.8 -1.812 . . . . 2.0 112.739 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.59 171.54 46.95 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.001 -2.039 . . . . 0.39 108.001 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HG2' HD13 ' A' ' 102' ' ' LEU . 6.6 Cg_exo -51.07 -61.23 0.58 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 N-CA-C 108.02 -1.569 . . . . 0.46 108.02 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 102' ' ' LEU . 48.6 t0 -166.12 -125.94 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 108.774 -0.825 . . . . 1.3 108.774 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.94 4.55 1.59 Allowed Glycine 0 N--CA 1.484 1.851 0 N-CA-C 109.708 -1.357 . . . . 0.49 109.708 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.71 ' O ' ' C ' ' A' ' 103' ' ' THR . 6.5 tt -51.98 -61.25 2.38 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.867 -1.372 . . . . 0.56 108.817 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 0.5 OUTLIER 8.56 -105.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.367 0.603 . . . . 0.72 110.208 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.579 ' H ' HG23 ' A' ' 103' ' ' THR . . . -90.82 -29.1 17.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 0.48 111.323 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.82 -72.97 0.09 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.071 -1.018 . . . . 0.71 112.225 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.71 4.8 17.62 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.745 -1.222 . . . . 2.98 110.68 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 103' ' ' THR . . . -77.22 -61.84 1.85 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.953 -1.092 . . . . 0.44 110.66 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.531 ' OG1' ' N ' ' A' ' 109' ' ' ASP . 7.1 t -147.43 -145.63 0.18 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.733 -1.229 . . . . 0.48 111.109 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' N ' ' OG1' ' A' ' 108' ' ' THR . 27.0 t70 -147.28 1.71 0.74 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.464 -0.772 . . . . 1.22 110.891 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.958 HD22 HD13 ' A' ' 113' ' ' ILE . 30.0 p30 -78.19 155.85 30.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.524 -1.36 . . . . 0.84 109.766 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -77.47 -2.32 34.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.335 -0.853 . . . . 1.4 111.241 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.627 ' O ' ' HB3' ' A' ' 115' ' ' ALA . . . -82.69 -49.14 10.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.563 -1.336 . . . . 0.38 109.848 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.958 HD13 HD22 ' A' ' 110' ' ' ASN . 1.6 mp -68.32 -44.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.021 -1.474 . . . . 0.54 107.021 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -56.02 -20.41 16.61 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.569 -1.271 . . . . 1.61 107.569 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 112' ' ' ALA . . . -61.12 -37.67 83.64 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.278 -1.008 . . . . 0.45 108.278 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -70.15 -18.07 63.21 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.326 -0.99 . . . . 0.5 108.326 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -82.59 -5.07 58.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.065 -1.022 . . . . 1.83 108.625 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 C--N 1.307 -1.246 0 O-C-N 120.901 -1.124 . . . . 2.97 109.044 179.026 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' O ' ' HB2' ' A' ' 2' ' ' CYS . 3.5 ttm . . . . . 0 N--CA 1.496 1.869 0 N-CA-C 108.927 -0.768 . . . . 6.11 108.927 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 1' ' ' MET . 60.1 m 62.52 10.59 4.13 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.13 -0.981 . . . . 2.65 108.734 -178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -56.47 -34.17 66.63 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.647 0.737 . . . . 1.99 109.142 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -73.84 -55.09 6.64 Favored 'General case' 0 C--N 1.299 -1.63 0 N-CA-C 108.703 -0.851 . . . . 2.6 108.703 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -51.64 -28.79 15.5 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.233 -0.917 . . . . 2.65 109.231 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -77.99 -52.95 8.01 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.152 -0.967 . . . . 1.69 109.546 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.42 ' CG ' ' N ' ' A' ' 8' ' ' TRP . 6.8 ptp -72.59 -38.68 67.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.801 -1.187 . . . . 1.21 109.0 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.42 ' N ' ' CG ' ' A' ' 7' ' ' MET . 50.6 t-105 -55.55 -14.28 2.0 Allowed 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.408 -0.807 . . . . 1.94 109.018 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.579 ' HB3' HG13 ' A' ' 18' ' ' VAL . . . -79.1 -50.74 10.56 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 121.334 -0.854 . . . . 0.32 109.113 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.54 ' HG ' HG11 ' A' ' 18' ' ' VAL . 3.7 mp -63.4 -10.62 17.81 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.405 -0.809 . . . . 0.65 109.199 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -90.87 -62.88 1.36 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.333 -0.855 . . . . 2.2 111.564 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -80.1 10.89 3.84 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 120.865 -1.147 . . . . 1.93 111.241 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.505 ' CA ' HE21 ' A' ' 47' ' ' GLN . . . 75.34 19.01 79.82 Favored Glycine 0 N--CA 1.486 1.996 0 C-N-CA 119.607 -1.282 . . . . 0.31 110.87 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.3 OUTLIER -70.09 50.98 0.12 Allowed 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.011 -1.287 . . . . 1.45 109.169 179.693 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' A' ' 13' ' ' GLY . 2.6 tm? -42.56 -27.34 0.16 Allowed 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.677 0.751 . . . . 0.31 109.499 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.11 -33.6 76.16 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.183 -0.948 . . . . 1.2 110.289 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.38 -44.5 29.09 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.083 -1.011 . . . . 2.16 110.653 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG13 ' HB3' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -69.53 -26.43 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.706 -1.246 . . . . 0.32 108.789 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 ttmt -63.88 -27.79 69.4 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.26 -0.9 . . . . 1.34 108.728 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -69.46 -47.51 63.73 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.602 -0.686 . . . . 1.47 110.144 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -61.44 -53.54 55.22 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.082 -1.011 . . . . 2.96 110.325 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 1.1 t -65.59 -22.04 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.948 -1.095 . . . . 1.59 109.547 -179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.61 -17.97 50.23 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.653 -1.239 . . . . 0.54 107.653 179.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.3 mmtt -61.43 -81.89 0.02 OUTLIER 'General case' 0 C--N 1.303 -1.451 0 CA-C-O 121.576 0.703 . . . . 2.52 109.176 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.498 ' O ' ' O ' ' A' ' 26' ' ' GLU . . . -163.84 84.5 0.11 Allowed Glycine 0 N--CA 1.487 2.095 0 C-N-CA 119.843 -1.17 . . . . 0.53 110.455 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.498 ' O ' ' O ' ' A' ' 25' ' ' GLY . 9.7 pt-20 34.86 98.06 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.821 -0.811 . . . . 1.96 110.856 179.211 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD1' ' O ' ' A' ' 26' ' ' GLU . 1.9 m-20 -142.4 56.67 1.45 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.227 -0.921 . . . . 1.74 109.412 179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.611 HG21 ' H ' ' A' ' 58' ' ' GLY . 29.9 m -106.05 64.74 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.319 -0.863 . . . . 0.47 110.214 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.428 HD22 ' C ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -173.91 34.45 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.419 0 O-C-N 120.887 -1.133 . . . . 1.17 108.818 179.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.413 ' H ' ' HG3' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -103.91 141.87 35.39 Favored 'General case' 0 N--CA 1.486 1.352 0 N-CA-C 108.41 -0.959 . . . . 3.54 108.41 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.8 m -57.3 97.1 0.02 OUTLIER 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.273 -0.892 . . . . 1.33 109.135 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 33' ' ' GLU . 9.2 tt -46.89 -86.14 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.424 -0.797 . . . . 1.45 110.118 -179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.769 ' N ' HD23 ' A' ' 32' ' ' LEU . 23.5 tt0 -73.31 -73.63 0.2 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.096 -1.003 . . . . 2.84 109.513 -179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -155.68 -7.14 0.07 OUTLIER Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.263 -1.535 . . . . 0.93 109.263 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.552 ' O ' ' NE2' ' A' ' 67' ' ' HIS . . . -165.72 16.5 0.09 OUTLIER Glycine 0 N--CA 1.488 2.125 0 N-CA-C 110.144 -1.182 . . . . 1.01 110.144 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -117.57 -173.42 2.42 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.018 -1.283 . . . . 2.76 109.386 -179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.466 ' C ' ' H ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -132.19 154.57 81.69 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.118 -0.989 . . . . 2.47 109.28 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 10' ' ' LEU . 6.3 Cg_endo -66.65 27.76 0.11 Allowed 'Trans proline' 0 C--N 1.317 -1.096 0 C-N-CA 122.107 1.871 . . . . 0.66 111.493 -179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.656 HD13 HD11 ' A' ' 54' ' ' LEU . 7.2 tp -126.75 -12.47 5.99 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.813 -1.179 . . . . 0.36 109.284 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' ND1' ' OG ' ' A' ' 74' ' ' SER . 3.0 t60 -78.05 -45.06 24.63 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.601 -0.889 . . . . 1.21 108.601 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.455 ' CD1' HD13 ' A' ' 32' ' ' LEU . 35.0 m-85 -70.81 -36.0 72.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.387 -0.82 . . . . 0.7 109.001 179.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.653 ' O ' HD12 ' A' ' 51' ' ' LEU . . . -68.42 -47.45 67.23 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.366 -0.834 . . . . 0.22 108.872 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.73 -56.43 13.68 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 120.901 -1.124 . . . . 0.26 109.098 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.638 ' O ' ' SG ' ' A' ' 45' ' ' CYS . 9.3 t70 -53.83 -35.06 61.04 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.489 -0.757 . . . . 1.84 111.025 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 44' ' ' ASP . 34.3 m -161.16 60.71 0.29 Allowed 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.76 -1.212 . . . . 1.09 110.12 -179.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.569 ' N ' ' O ' ' A' ' 42' ' ' ALA . . . -113.42 35.75 4.39 Favored Glycine 0 N--CA 1.496 2.696 0 N-CA-C 109.671 -1.372 . . . . 0.22 109.671 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.553 ' N ' ' CD ' ' A' ' 47' ' ' GLN . 1.6 mp0 47.93 16.32 0.08 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.116 -1.226 . . . . 1.56 108.701 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.691 ' O ' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER 62.86 -3.38 0.32 Allowed 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.298 0.571 . . . . 0.34 111.174 179.12 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.443 ' H ' ' C ' ' A' ' 47' ' ' GLN . 4.1 pt-20 -96.42 -34.81 11.39 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 120.916 -1.115 . . . . 1.53 109.011 178.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.412 HD12 ' HA ' ' A' ' 10' ' ' LEU . 0.9 OUTLIER -66.8 -39.34 83.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.499 -0.751 . . . . 0.25 111.674 -178.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 1.04 HD13 ' H ' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -60.57 -54.09 49.57 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.257 -1.377 . . . . 0.25 109.635 -178.017 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.712 ' H ' HD22 ' A' ' 51' ' ' LEU . 14.9 mt-10 -51.87 -34.07 39.29 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.808 -1.182 . . . . 2.43 110.078 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -61.79 -86.95 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.319 -0.863 . . . . 0.62 112.167 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.984 HD13 ' N ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -53.3 -6.68 0.07 Allowed 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.358 -0.839 . . . . 1.38 111.521 -177.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.984 ' N ' HD13 ' A' ' 54' ' ' LEU . 4.3 tt -87.98 -42.61 12.33 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.641 -1.287 . . . . 0.36 109.602 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 pp -61.31 -27.23 68.34 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.054 -1.028 . . . . 1.46 110.13 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.86 -89.85 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.126 -0.984 . . . . 1.96 108.716 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.611 ' H ' HG21 ' A' ' 28' ' ' VAL . . . -80.66 -112.38 0.3 Allowed Glycine 0 N--CA 1.486 1.975 0 N-CA-C 108.673 -1.771 . . . . 0.31 108.673 179.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.611 ' C ' ' H ' ' A' ' 61' ' ' ILE . . . 175.13 59.91 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.152 -1.204 . . . . 0.29 110.887 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -69.98 6.21 1.31 Allowed 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 106.665 -1.606 . . . . 1.26 106.665 177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.961 HD11 ' HB2' ' A' ' 92' ' ' ALA . 12.0 tt -57.37 -10.08 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 CA-C-N 115.239 -0.891 . . . . 0.3 109.704 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.815 ' H ' HD22 ' A' ' 62' ' ' ASN . 0.0 OUTLIER -152.76 -25.38 0.16 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.36 -0.837 . . . . 0.63 110.342 -179.716 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.677 ' N ' ' HD2' ' A' ' 64' ' ' PRO . . . -32.18 -51.77 0.55 Allowed Pre-proline 0 N--CA 1.499 1.98 0 O-C-N 121.494 -0.754 . . . . 0.57 112.491 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 63' ' ' ALA . 38.8 Cg_exo -27.74 121.45 0.04 OUTLIER 'Trans proline' 0 C--N 1.324 -0.757 0 C-N-CA 122.41 2.073 . . . . 0.44 112.524 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -128.67 -44.14 1.36 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 108.828 -0.805 . . . . 1.29 108.828 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.0 tptm -83.97 -19.74 34.08 Favored 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 108.471 -0.937 . . . . 2.22 108.471 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.552 ' NE2' ' O ' ' A' ' 35' ' ' GLY . 15.1 m170 -80.21 -1.54 40.98 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.763 -0.829 . . . . 2.13 108.763 179.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.465 ' C ' ' O ' ' A' ' 67' ' ' HIS . 0.2 OUTLIER 38.28 25.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.859 -0.526 . . . . 3.47 109.985 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.552 ' N ' ' O ' ' A' ' 67' ' ' HIS . 0.4 OUTLIER -163.32 143.68 2.49 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 O-C-N 120.86 -1.15 . . . . 0.44 110.173 -178.845 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.637 ' OG1' ' HD2' ' A' ' 71' ' ' PRO . 0.0 OUTLIER -97.25 158.03 33.91 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 108.714 -0.847 . . . . 1.2 108.714 179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.637 ' HD2' ' OG1' ' A' ' 70' ' ' THR . 2.4 Cg_endo -65.89 -20.74 58.03 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 122.421 2.081 . . . . 0.59 114.408 -176.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.916 ' N ' HD13 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.32 -38.68 77.6 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 119.539 -1.976 . . . . 0.39 108.877 -178.602 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 76' ' ' VAL . 5.1 mp -70.05 -24.43 63.26 Favored 'General case' 0 C--N 1.303 -1.451 0 C-N-CA 119.045 -1.062 . . . . 0.23 108.509 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.452 ' OG ' ' ND1' ' A' ' 40' ' ' HIS . 13.4 t -55.68 -43.65 76.57 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 120.935 -1.103 . . . . 0.85 108.739 179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' HB3' ' CG1' ' A' ' 84' ' ' VAL . . . -70.82 -33.07 70.31 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.533 -0.73 . . . . 0.21 109.79 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG13 HG12 ' A' ' 113' ' ' ILE . 2.4 t -47.54 -67.73 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.077 -1.015 . . . . 0.43 109.758 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -73.83 38.23 0.1 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.859 -1.151 . . . . 0.3 109.547 -179.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' OE2' ' OD1' ' A' ' 44' ' ' ASP . 40.0 tp10 -125.29 -21.96 4.47 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.232 -0.918 . . . . 2.06 109.673 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.98 -1.97 85.13 Favored Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.694 -1.363 . . . . 0.26 109.694 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.806 ' O ' ' N ' ' A' ' 82' ' ' SER . 2.0 m-70 -81.04 -51.09 8.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -1.195 . . . . 0.51 108.987 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 84' ' ' VAL . 2.3 m 38.41 3.96 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.019 0 O-C-N 122.048 -0.407 . . . . 0.31 112.082 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.806 ' N ' ' O ' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -76.85 -23.09 52.69 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 120.326 -1.484 . . . . 0.95 107.321 178.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.8 OUTLIER -86.53 -55.63 3.8 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 109.184 -0.673 . . . . 0.97 109.184 178.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.483 ' C ' ' O ' ' A' ' 83' ' ' CYS . 10.3 m -38.89 -28.97 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.077 -1.014 . . . . 0.28 109.657 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.3 tttt -70.91 -72.46 0.21 Allowed 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.267 -0.895 . . . . 1.74 109.997 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.082 HD22 ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -60.33 -4.26 0.81 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.41 -1.432 . . . . 1.36 109.049 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.83 ' N ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -75.07 -71.69 0.34 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.04 -1.038 . . . . 0.37 110.674 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.808 HD22 ' C ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -49.58 -15.67 0.17 Allowed 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.579 -1.326 . . . . 0.99 109.64 -178.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.647 ' N ' HD13 ' A' ' 88' ' ' LEU . 8.8 t -59.88 -14.66 16.36 Favored 'General case' 0 C--N 1.295 -1.772 0 N-CA-C 107.753 -1.203 . . . . 1.31 107.753 178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm -104.72 -6.19 20.6 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 108.738 -0.838 . . . . 2.27 108.738 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.649 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . 122.25 -84.88 0.38 Allowed Glycine 0 N--CA 1.485 1.957 0 N-CA-C 108.46 -1.856 . . . . 0.35 108.46 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.961 ' HB2' HD11 ' A' ' 61' ' ' ILE . . . 37.13 21.37 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.671 -0.899 . . . . 0.35 110.245 179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.664 ' OD1' ' N ' ' A' ' 94' ' ' LYS . 11.3 t0 35.4 -126.1 0.12 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.284 -0.885 . . . . 2.04 110.886 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.68 ' NZ ' HG21 ' A' ' 103' ' ' THR . 0.0 OUTLIER -158.76 -32.81 0.07 Allowed 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 107.988 -1.116 . . . . 4.1 107.988 -179.162 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.53 ' OG1' ' HG3' ' A' ' 94' ' ' LYS . 0.2 OUTLIER -143.41 61.15 1.39 Allowed 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 107.863 -1.162 . . . . 1.73 107.863 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.631 HG23 ' CB ' ' A' ' 93' ' ' ASP . 2.1 t -83.86 -11.68 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.063 -1.023 . . . . 1.15 111.729 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -161.38 5.36 0.06 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.8 -1.812 . . . . 2.0 112.739 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.59 171.54 46.95 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 108.001 -2.039 . . . . 0.39 108.001 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.422 ' HG2' HD13 ' A' ' 102' ' ' LEU . 6.6 Cg_exo -51.07 -61.23 0.58 Allowed 'Trans proline' 0 C--N 1.308 -1.569 0 N-CA-C 108.02 -1.569 . . . . 0.46 108.02 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 102' ' ' LEU . 48.6 t0 -166.12 -125.94 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 108.774 -0.825 . . . . 1.3 108.774 178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -64.94 4.55 1.59 Allowed Glycine 0 N--CA 1.484 1.851 0 N-CA-C 109.708 -1.357 . . . . 0.49 109.708 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.71 ' O ' ' C ' ' A' ' 103' ' ' THR . 6.5 tt -51.98 -61.25 2.38 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 120.867 -1.372 . . . . 0.56 108.817 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.75 ' O ' ' HB2' ' A' ' 107' ' ' ALA . 0.5 OUTLIER 8.56 -105.38 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 CA-C-O 121.367 0.603 . . . . 0.72 110.208 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.579 ' H ' HG23 ' A' ' 103' ' ' THR . . . -90.82 -29.1 17.77 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.222 -0.924 . . . . 0.48 111.323 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.82 -72.97 0.09 Allowed 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.071 -1.018 . . . . 0.71 112.225 -177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.71 4.8 17.62 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 120.745 -1.222 . . . . 2.98 110.68 -177.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.75 ' HB2' ' O ' ' A' ' 103' ' ' THR . . . -77.22 -61.84 1.85 Allowed 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.953 -1.092 . . . . 0.44 110.66 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.531 ' OG1' ' N ' ' A' ' 109' ' ' ASP . 7.1 t -147.43 -145.63 0.18 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.733 -1.229 . . . . 0.48 111.109 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.531 ' N ' ' OG1' ' A' ' 108' ' ' THR . 27.0 t70 -147.28 1.71 0.74 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.464 -0.772 . . . . 1.22 110.891 -179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.605 HD21 HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -78.19 155.85 30.15 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.524 -1.36 . . . . 0.84 109.766 -179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -77.47 -2.32 34.8 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.335 -0.853 . . . . 1.4 111.241 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.627 ' O ' ' HB3' ' A' ' 115' ' ' ALA . . . -82.69 -49.14 10.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.563 -1.336 . . . . 0.38 109.848 -178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.605 HD13 HD21 ' A' ' 110' ' ' ASN . 1.6 mp -68.32 -44.08 83.95 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.961 0 N-CA-C 107.021 -1.474 . . . . 0.54 107.021 178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 22.7 mmtt -56.02 -20.41 16.61 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 107.569 -1.271 . . . . 1.61 107.569 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 112' ' ' ALA . . . -61.12 -37.67 83.64 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 108.278 -1.008 . . . . 0.45 108.278 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -70.15 -18.07 63.21 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 108.326 -0.99 . . . . 0.5 108.326 178.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.761 ' O ' HD12 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -82.59 -5.07 58.59 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.065 -1.022 . . . . 1.83 108.625 179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLN . . . . . . . . . . . . . 3.2 pp0? . . . . . 0 C--N 1.307 -1.246 0 O-C-N 120.901 -1.124 . . . . 2.97 109.044 179.026 . . . . . . . . 0 0 . 1 stop_ save_