data_1abv_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 1abv _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 109.067 -0.716 . . . . 4.7000000000000002 109.067 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' CD ' ' N ' ' A' ' 2' ' ' GLU . 10.0 mp0 -100.23 169.49 9.1 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.294 0.569 . . . . 4.2400000000000002 110.415 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.54 41.23 2.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 3.7799999999999998 110.046 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.518 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 1.4 pp -47.24 -38.06 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.471 -0.768 . . . . 2.27 111.369 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -53.36 -39.87 64.5 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.196 -0.94 . . . . 2.1800000000000002 109.649 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.442 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 12.1 t -76.08 -37.87 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.591 -0.693 . . . . 1.96 109.355 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.469 ' HB3' ' HB2' ' A' ' 90' ' ' ASP . . . -71.15 -31.57 67.86 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.394 -0.816 . . . . 1.23 110.901 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.22 -58.9 3.08 Favored Pre-proline 0 N--CA 1.505 2.324 0 O-C-N 121.696 -0.628 . . . . 3.1800000000000002 111.254 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.525 ' HD3' ' HB2' ' A' ' 8' ' ' ARG . 33.4 Cg_endo -73.11 -40.57 1.66 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 C-N-CA 122.192 1.928 . . . . 1.03 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.491 ' CE2' ' HG2' ' A' ' 79' ' ' MET . 11.5 m-85 -57.18 -49.62 75.41 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.48 -0.763 . . . . 2.2000000000000002 109.467 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' HB3' ' CG1' ' A' ' 91' ' ' VAL . . . -72.05 -40.45 68.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.529 -0.732 . . . . 1.1799999999999999 109.365 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.575 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -58.88 -61.65 2.47 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.701 -0.624 . . . . 3.0800000000000001 109.932 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.67 71.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.78 -0.575 . . . . 1.29 110.42 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB2' ' CZ2' ' A' ' 27' ' ' TRP . . . -65.63 -37.28 86.13 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.273 -0.892 . . . . 1.1699999999999999 109.782 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -65.42 -43.73 89.64 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.307 -0.871 . . . . 2.3199999999999998 109.89 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.449 ' CG ' ' HZ1' ' A' ' 12' ' ' LYS . 69.8 m-20 -48.67 -69.31 0.12 Allowed 'General case' 0 N--CA 1.505 2.275 0 CA-C-O 121.795 0.807 . . . . 1.51 109.627 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.64 70.2 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.971 -0.559 . . . . 2.1099999999999999 109.66 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.48 70.11 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.15 -0.969 . . . . 1.1100000000000001 108.856 178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.492 ' HA ' HG22 ' A' ' 24' ' ' VAL . 79.1 t -74.76 -51.09 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.573 -0.899 . . . . 1.1799999999999999 108.573 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -55.97 -45.94 78.78 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.578 -0.701 . . . . 2.1499999999999999 110.052 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -79.06 4.79 13.52 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.568 -0.707 . . . . 2.2200000000000002 110.882 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 55.35 25.0 7.07 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.124 -0.985 . . . . 3.23 110.432 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' VAL . 23.2 t -90.86 -17.73 26.01 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.085 -1.01 . . . . 1.04 110.646 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.492 HG22 ' HA ' ' A' ' 19' ' ' VAL . 75.8 t -34.19 -52.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.661 0 O-C-N 121.391 -0.818 . . . . 1.1000000000000001 111.901 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.13 -50.75 72.4 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.378 -0.826 . . . . 2.1499999999999999 110.225 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -39.55 62.93 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.216 -0.927 . . . . 4.3099999999999996 110.063 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.529 ' CZ2' ' HB2' ' A' ' 14' ' ' ALA . 17.2 t90 -58.41 -30.31 66.76 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.436 -0.79 . . . . 1.3500000000000001 109.786 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.538 ' OE1' ' HD2' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -48.13 -46.49 34.33 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.608 -0.683 . . . . 2.0099999999999998 109.73 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -47.24 73.91 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.786 -0.82 . . . . 1.6299999999999999 108.786 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.4 mtt -47.6 -47.48 28.71 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.734 -0.603 . . . . 1.9299999999999999 109.852 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.528 HD13 ' CD2' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -67.19 -48.21 68.63 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.375 -0.828 . . . . 1.8100000000000001 109.331 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -59.32 5.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.744 -0.597 . . . . 1.3400000000000001 109.422 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -53.02 -42.63 65.85 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.46 -0.775 . . . . 2.2799999999999998 109.617 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.63 -47.29 86.89 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.346 -0.846 . . . . 1.1599999999999999 109.733 179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.01 -33.31 65.68 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.516 -0.74 . . . . 1.1399999999999999 110.025 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.68 -50.7 72.81 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 2.2000000000000002 109.991 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG12 ' CE1' ' A' ' 60' ' ' PHE . 9.0 p -68.62 -41.74 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.509 -0.744 . . . . 1.29 110.929 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.454 ' HA ' ' HG2' ' A' ' 43' ' ' MET . 0.5 OUTLIER -58.86 -30.47 67.74 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.101 -1.0 . . . . 1.22 110.952 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -72.09 -15.22 62.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.365 -0.834 . . . . 2.8999999999999999 110.828 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -69.27 131.13 44.39 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.216 -0.928 . . . . 1.96 109.535 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -48.84 -54.25 16.0 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.655 -0.653 . . . . 2.8900000000000001 110.242 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.94 -33.82 62.62 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.616 -0.678 . . . . 3.1699999999999999 110.258 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.454 ' HG2' ' HA ' ' A' ' 38' ' ' THR . 8.5 tpt -66.38 -44.4 83.24 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.786 -1.19 . . . . 1.21 107.786 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.98 91.03 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.399 -0.963 . . . . 1.47 108.399 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.72 -48.44 79.59 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.688 -0.856 . . . . 2.1800000000000002 108.688 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.93 -35.19 76.51 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.564 -0.71 . . . . 2.54 109.333 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.547 HD23 ' HB3' ' A' ' 85' ' ' LEU . 25.8 mt -66.3 -46.96 75.13 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.509 -0.745 . . . . 1.47 109.614 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -85.87 57.64 4.59 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.384 -0.822 . . . . 2.75 109.516 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.03 177.26 45.5 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 110.454 -1.058 . . . . 2.8700000000000001 110.454 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.47 74.36 0.54 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.308 -1.113 . . . . 3.02 110.304 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 mt 56.6 27.29 12.22 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.613 -0.68 . . . . 3.4900000000000002 111.199 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.91 99.67 36.05 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 120.962 -1.086 . . . . 1.75 110.265 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HA ' HD22 ' A' ' 56' ' ' LEU . 30.7 Cg_endo -70.84 -45.55 0.98 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 122.905 2.403 . . . . 1.0700000000000001 111.228 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.5 pm0 -61.68 -35.76 78.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.191 -0.943 . . . . 2.8999999999999999 109.484 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 48.9 m -59.56 -56.09 26.36 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.09 -1.006 . . . . 2.1800000000000002 109.809 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.541 HD22 ' HA ' ' A' ' 53' ' ' PRO . 1.0 OUTLIER -67.31 -37.02 82.69 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.288 -0.882 . . . . 1.8400000000000001 110.614 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.77 -61.4 1.9 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.037 -1.039 . . . . 1.0900000000000001 110.146 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 3.9 mm-40 -57.38 -48.07 80.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.584 -0.697 . . . . 2.46 109.451 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -56.97 -36.43 70.32 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.267 -0.896 . . . . 1.23 109.234 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.511 ' CD2' HG22 ' A' ' 76' ' ' ILE . 51.9 t80 -66.48 -48.69 69.07 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.406 -0.809 . . . . 2.23 109.417 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -39.48 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.236 -0.915 . . . . 1.6200000000000001 108.798 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.91 -46.43 52.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.648 -0.657 . . . . 1.27 110.2 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG11 ' HA ' ' A' ' 60' ' ' PHE . 4.7 p -69.56 -32.41 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.172 -0.955 . . . . 1.1799999999999999 110.303 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.6 t -73.24 -32.84 64.96 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.333 -0.855 . . . . 1.3400000000000001 110.032 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.74 149.14 13.55 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 110.753 -0.939 . . . . 1.8899999999999999 110.753 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.73 -13.76 36.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.463 -1.022 . . . . 3.3999999999999999 111.611 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -70.66 63.79 0.29 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.875 -1.141 . . . . 3.75 109.722 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -134.9 134.61 40.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.217 -0.927 . . . . 1.5 110.451 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.79 154.11 30.82 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.242 -0.651 . . . . 1.6299999999999999 109.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -38.67 68.27 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.961 -1.087 . . . . 2.8900000000000001 108.732 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.98 -36.83 75.48 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.578 -0.897 . . . . 2.8900000000000001 108.578 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.71 -51.44 55.89 Favored Glycine 0 N--CA 1.502 3.097 0 N-CA-C 110.004 -1.239 . . . . 0.55000000000000004 110.004 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 -47.69 84.65 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.51 -0.994 . . . . 1.75 108.911 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -61.01 -43.08 99.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 2.29 109.212 178.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tt -52.42 -48.95 65.42 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.562 -0.711 . . . . 1.6100000000000001 109.555 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.511 HG22 ' CD2' ' A' ' 60' ' ' PHE . 48.8 mm -57.79 -47.41 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 108.831 -0.803 . . . . 1.24 108.831 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -54.64 43.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.252 -0.648 . . . . 3.7000000000000002 109.252 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -52.45 -39.37 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 N-CA-C 108.988 -0.745 . . . . 1.5 108.988 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.597 ' HB3' ' HA ' ' A' ' 85' ' ' LEU . 4.5 mmm -66.69 -43.65 83.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.419 -0.956 . . . . 1.3700000000000001 108.419 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.551 ' HB1' HD13 ' A' ' 85' ' ' LEU . . . -66.67 -50.99 61.12 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.642 -0.661 . . . . 1.1399999999999999 109.761 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -42.24 60.19 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.722 -0.611 . . . . 1.95 110.194 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.62 2.61 44.41 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.326 -0.859 . . . . 2.27 110.793 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.98 33.31 83.45 Favored Glycine 0 N--CA 1.503 3.121 0 N-CA-C 110.274 -1.13 . . . . 1.78 110.274 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -124.02 17.31 9.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.388 -1.066 . . . . 3.7999999999999998 110.707 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.597 ' HA ' ' HB3' ' A' ' 79' ' ' MET . 0.4 OUTLIER -53.44 -32.84 51.68 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.029 -1.044 . . . . 1.1699999999999999 110.675 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -65.04 -18.44 65.3 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.157 -0.965 . . . . 2.52 110.941 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -81.0 37.02 0.42 Allowed 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.992 -1.067 . . . . 1.3 110.667 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.65 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -68.84 -38.01 10.75 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.02 -1.05 . . . . 1.4199999999999999 111.196 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.65 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 30.6 Cg_endo -71.45 -40.04 3.3 Favored 'Trans proline' 0 N--CA 1.479 0.669 0 C-N-CA 121.546 1.497 . . . . 0.66000000000000003 109.882 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.518 ' HB3' ' HA ' ' A' ' 4' ' ' ILE . 3.2 m-20 -51.57 -46.29 63.39 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.423 -0.954 . . . . 1.76 108.423 177.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 ' CG1' ' HB3' ' A' ' 11' ' ' ALA . 57.8 t -67.29 -43.4 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 108.509 -0.923 . . . . 2.0299999999999998 108.509 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.85 -54.36 47.29 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.823 -0.548 . . . . 2.1099999999999999 109.662 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -51.36 67.63 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.687 -0.633 . . . . 2.7799999999999998 109.466 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -57.33 -42.39 81.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.367 -0.833 . . . . 1.9099999999999999 109.29 178.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 28' ' ' GLN . 16.2 t80 -61.95 -48.22 81.36 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.507 -0.746 . . . . 4.0099999999999998 109.466 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.14 -47.54 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 N-CA-C 108.852 -0.796 . . . . 1.6699999999999999 108.852 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -65.81 -48.89 70.21 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.547 -0.721 . . . . 2.79 109.098 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 12' ' ' LYS . 1.9 mp -54.53 -46.28 73.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.533 -0.729 . . . . 1.72 109.087 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.538 ' HD2' ' OE1' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -59.27 -53.27 60.2 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.059 -0.719 . . . . 3.6000000000000001 109.059 179.021 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.17 -33.73 67.74 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.684 -0.635 . . . . 1.4399999999999999 109.996 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 87.8 t -65.54 -60.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.454 -0.779 . . . . 2.2000000000000002 109.499 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -51.26 -37.62 48.19 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.657 -0.652 . . . . 2.5699999999999998 110.971 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -32.2 70.77 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.049 -1.032 . . . . 2.9700000000000002 109.51 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.21 -42.1 8.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.471 -0.768 . . . . 2.46 109.567 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m . . . . . 0 N--CA 1.502 2.158 0 CA-C-O 118.499 -0.762 . . . . 3.8799999999999999 109.272 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 109.067 -0.716 . . . . 4.42 109.067 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 10.0 mp0 -100.23 169.49 9.1 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.294 0.569 . . . . 4.24 110.415 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.54 41.23 2.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 3.0 110.046 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 1.4 pp -47.24 -38.06 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.471 -0.768 . . . . 1.74 111.369 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -53.36 -39.87 64.5 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.196 -0.94 . . . . 1.76 109.649 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.436 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 12.1 t -76.08 -37.87 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.591 -0.693 . . . . 1.44 109.355 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 90' ' ' ASP . . . -71.15 -31.57 67.86 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.394 -0.816 . . . . 0.68 110.901 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.22 -58.9 3.08 Favored Pre-proline 0 N--CA 1.505 2.324 0 O-C-N 121.696 -0.628 . . . . 2.67 111.254 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HD3' ' HB2' ' A' ' 8' ' ' ARG . 33.4 Cg_endo -73.11 -40.57 1.66 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 C-N-CA 122.192 1.928 . . . . 0.92 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.719 ' OH ' HG12 ' A' ' 78' ' ' VAL . 11.5 m-85 -57.18 -49.62 75.41 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.48 -0.763 . . . . 1.37 109.467 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 91' ' ' VAL . . . -72.05 -40.45 68.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.529 -0.732 . . . . 0.56 109.365 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.591 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -58.88 -61.65 2.47 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.701 -0.624 . . . . 2.67 109.932 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.67 71.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.78 -0.575 . . . . 0.57 110.42 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -65.63 -37.28 86.13 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.273 -0.892 . . . . 0.6 109.782 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' CD2' HD23 ' A' ' 98' ' ' LEU . 77.9 t80 -65.42 -43.73 89.64 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.307 -0.871 . . . . 1.43 109.89 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -48.67 -69.31 0.12 Allowed 'General case' 0 N--CA 1.505 2.275 0 CA-C-O 121.795 0.807 . . . . 1.51 109.627 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.64 70.2 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.971 -0.559 . . . . 1.28 109.66 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' C ' HG23 ' A' ' 24' ' ' VAL . . . -56.36 -37.48 70.11 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.15 -0.969 . . . . 0.39 108.856 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 HG21 ' A' ' 24' ' ' VAL . 79.1 t -74.76 -51.09 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.573 -0.899 . . . . 0.61 108.573 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -55.97 -45.94 78.78 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.578 -0.701 . . . . 2.15 110.052 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -79.06 4.79 13.52 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.568 -0.707 . . . . 2.22 110.882 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 55.35 25.0 7.07 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.124 -0.985 . . . . 2.67 110.432 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' VAL . 23.2 t -90.86 -17.73 26.01 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.085 -1.01 . . . . 0.63 110.646 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG21 HG22 ' A' ' 19' ' ' VAL . 75.8 t -34.19 -52.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.661 0 O-C-N 121.391 -0.818 . . . . 0.37 111.901 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.13 -50.75 72.4 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.378 -0.826 . . . . 2.15 110.225 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -39.55 62.93 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.216 -0.927 . . . . 3.56 110.063 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.773 ' CD2' HD11 ' A' ' 31' ' ' LEU . 17.2 t90 -58.41 -30.31 66.76 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.436 -0.79 . . . . 1.03 109.786 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.558 ' OE1' ' HD2' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -48.13 -46.49 34.33 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.608 -0.683 . . . . 2.01 109.73 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -47.24 73.91 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.786 -0.82 . . . . 1.63 108.786 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.4 mtt -47.6 -47.48 28.71 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.734 -0.603 . . . . 1.43 109.852 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.784 HD13 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -67.19 -48.21 68.63 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.375 -0.828 . . . . 1.22 109.331 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -59.32 5.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.744 -0.597 . . . . 0.68 109.422 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -53.02 -42.63 65.85 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.46 -0.775 . . . . 1.42 109.617 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -60.63 -47.29 86.89 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.346 -0.846 . . . . 0.44 109.733 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HA ' ' OG1' ' A' ' 38' ' ' THR . . . -73.01 -33.31 65.68 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.516 -0.74 . . . . 0.54 110.025 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -59.68 -50.7 72.81 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 2.2 109.991 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.62 -41.74 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.509 -0.744 . . . . 0.59 110.929 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.606 HG23 ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -58.86 -30.47 67.74 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.101 -1.0 . . . . 0.59 110.952 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.8 mtmt -72.09 -15.22 62.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.365 -0.834 . . . . 2.48 110.828 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -69.27 131.13 44.39 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.216 -0.928 . . . . 1.8 109.535 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -48.84 -54.25 16.0 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.655 -0.653 . . . . 2.89 110.242 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.94 -33.82 62.62 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.616 -0.678 . . . . 2.64 110.258 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.508 ' HG2' ' HA ' ' A' ' 38' ' ' THR . 8.5 tpt -66.38 -44.4 83.24 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.786 -1.19 . . . . 0.82 107.786 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.98 91.03 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.399 -0.963 . . . . 0.9 108.399 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.72 -48.44 79.59 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.688 -0.856 . . . . 2.18 108.688 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.93 -35.19 76.51 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.564 -0.71 . . . . 2.06 109.333 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 85' ' ' LEU . 25.8 mt -66.3 -46.96 75.13 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.509 -0.745 . . . . 1.14 109.614 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -85.87 57.64 4.59 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.384 -0.822 . . . . 2.36 109.516 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.03 177.26 45.5 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 110.454 -1.058 . . . . 2.73 110.454 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.47 74.36 0.54 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.308 -1.113 . . . . 2.55 110.304 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 mt 56.6 27.29 12.22 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.613 -0.68 . . . . 2.98 111.199 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.91 99.67 36.05 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 120.962 -1.086 . . . . 1.38 110.265 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.483 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.7 Cg_endo -70.84 -45.55 0.98 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 122.905 2.403 . . . . 0.97 111.228 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.5 pm0 -61.68 -35.76 78.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.191 -0.943 . . . . 2.9 109.484 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 48.9 m -59.56 -56.09 26.36 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.09 -1.006 . . . . 1.58 109.809 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -67.31 -37.02 82.69 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.288 -0.882 . . . . 1.18 110.614 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.91 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . . . -67.77 -61.4 1.9 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.037 -1.039 . . . . 0.42 110.146 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 3.9 mm-40 -57.38 -48.07 80.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.584 -0.697 . . . . 2.46 109.451 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -56.97 -36.43 70.32 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.267 -0.896 . . . . 0.86 109.234 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.67 ' HA ' HG12 ' A' ' 63' ' ' VAL . 51.9 t80 -66.48 -48.69 69.07 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.406 -0.809 . . . . 1.34 109.417 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -39.48 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.236 -0.915 . . . . 1.06 108.798 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.91 -46.43 52.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.648 -0.657 . . . . 0.73 110.2 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 60' ' ' PHE . 4.7 p -69.56 -32.41 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.172 -0.955 . . . . 0.69 110.303 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.6 t -73.24 -32.84 64.96 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.333 -0.855 . . . . 0.92 110.032 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.74 149.14 13.55 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 110.753 -0.939 . . . . 1.89 110.753 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.73 -13.76 36.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.463 -1.022 . . . . 3.4 111.611 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -70.66 63.79 0.29 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.875 -1.141 . . . . 3.24 109.722 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -134.9 134.61 40.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.217 -0.927 . . . . 0.89 110.451 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.79 154.11 30.82 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.242 -0.651 . . . . 1.63 109.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -38.67 68.27 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.961 -1.087 . . . . 2.89 108.732 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.98 -36.83 75.48 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.578 -0.897 . . . . 2.3 108.578 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.71 -51.44 55.89 Favored Glycine 0 N--CA 1.502 3.097 0 N-CA-C 110.004 -1.239 . . . . 0.55 110.004 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 -47.69 84.65 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.51 -0.994 . . . . 1.64 108.911 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.551 ' O ' HG23 ' A' ' 78' ' ' VAL . 42.0 m-20 -61.01 -43.08 99.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 1.87 109.212 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tt -52.42 -48.95 65.42 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.562 -0.711 . . . . 0.97 109.555 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.762 HG23 HD21 ' A' ' 85' ' ' LEU . 48.8 mm -57.79 -47.41 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 108.831 -0.803 . . . . 0.66 108.831 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -54.64 43.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.252 -0.648 . . . . 3.17 109.252 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.719 HG12 ' OH ' ' A' ' 10' ' ' TYR . 40.5 t -52.45 -39.37 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 N-CA-C 108.988 -0.745 . . . . 0.94 108.988 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.633 ' HB3' ' HA ' ' A' ' 85' ' ' LEU . 4.5 mmm -66.69 -43.65 83.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.419 -0.956 . . . . 0.76 108.419 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.91 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -66.67 -50.99 61.12 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.642 -0.661 . . . . 0.72 109.761 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -42.24 60.19 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.722 -0.611 . . . . 1.95 110.194 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.62 2.61 44.41 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.326 -0.859 . . . . 2.27 110.793 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.98 33.31 83.45 Favored Glycine 0 N--CA 1.503 3.121 0 N-CA-C 110.274 -1.13 . . . . 1.43 110.274 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -124.02 17.31 9.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.388 -1.066 . . . . 3.25 110.707 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -53.44 -32.84 51.68 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.029 -1.044 . . . . 0.49 110.675 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -65.04 -18.44 65.3 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.157 -0.965 . . . . 2.18 110.941 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 89' ' ' PRO . . . -81.0 37.02 0.42 Allowed 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.992 -1.067 . . . . 0.69 110.667 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -68.84 -38.01 10.75 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.02 -1.05 . . . . 0.85 111.196 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 30.6 Cg_endo -71.45 -40.04 3.3 Favored 'Trans proline' 0 N--CA 1.479 0.669 0 C-N-CA 121.546 1.497 . . . . 0.56 109.882 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.562 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 3.2 m-20 -51.57 -46.29 63.39 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.423 -0.954 . . . . 1.76 108.423 177.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' HB2' ' A' ' 11' ' ' ALA . 57.8 t -67.29 -43.4 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 108.509 -0.923 . . . . 1.43 108.509 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.85 -54.36 47.29 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.823 -0.548 . . . . 1.62 109.662 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -51.36 67.63 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.687 -0.633 . . . . 2.78 109.466 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -57.33 -42.39 81.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.367 -0.833 . . . . 1.91 109.29 178.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.784 ' CD2' HD13 ' A' ' 31' ' ' LEU . 16.2 t80 -61.95 -48.22 81.36 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.507 -0.746 . . . . 3.13 109.466 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.14 -47.54 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 N-CA-C 108.852 -0.796 . . . . 1.22 108.852 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.657 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.1 t-160 -65.81 -48.89 70.21 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.547 -0.721 . . . . 2.19 109.098 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 15' ' ' PHE . 1.9 mp -54.53 -46.28 73.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.533 -0.729 . . . . 1.14 109.087 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.558 ' HD2' ' OE1' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -59.27 -53.27 60.2 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.059 -0.719 . . . . 3.06 109.059 179.021 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.17 -33.73 67.74 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.684 -0.635 . . . . 0.88 109.996 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 97' ' ' HIS . 87.8 t -65.54 -60.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.454 -0.779 . . . . 1.64 109.499 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -51.26 -37.62 48.19 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.657 -0.652 . . . . 2.17 110.971 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -32.2 70.77 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.049 -1.032 . . . . 2.97 109.51 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.21 -42.1 8.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.471 -0.768 . . . . 2.46 109.567 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m . . . . . 0 N--CA 1.502 2.158 0 CA-C-O 118.499 -0.762 . . . . 3.74 109.272 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.499 2.014 0 N-CA-C 109.067 -0.716 . . . . 4.42 109.067 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.541 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 10.0 mp0 -100.23 169.49 9.1 Favored 'General case' 0 N--CA 1.493 1.676 0 CA-C-O 121.294 0.569 . . . . 4.24 110.415 -177.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.54 41.23 2.04 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.324 -0.86 . . . . 3.0 110.046 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HA ' ' HB3' ' A' ' 90' ' ' ASP . 1.4 pp -47.24 -38.06 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.362 0 O-C-N 121.471 -0.768 . . . . 1.74 111.369 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 m -53.36 -39.87 64.5 Favored 'General case' 0 N--CA 1.506 2.366 0 O-C-N 121.196 -0.94 . . . . 1.76 109.649 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.436 ' O ' ' HD2' ' A' ' 9' ' ' PRO . 12.1 t -76.08 -37.87 33.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.016 0 O-C-N 121.591 -0.693 . . . . 1.44 109.355 179.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.562 ' HB2' ' HB2' ' A' ' 90' ' ' ASP . . . -71.15 -31.57 67.86 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.394 -0.816 . . . . 0.68 110.901 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.567 ' HB2' ' HD3' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -42.22 -58.9 3.08 Favored Pre-proline 0 N--CA 1.505 2.324 0 O-C-N 121.696 -0.628 . . . . 2.67 111.254 -179.362 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.567 ' HD3' ' HB2' ' A' ' 8' ' ' ARG . 33.4 Cg_endo -73.11 -40.57 1.66 Allowed 'Trans proline' 0 C--N 1.321 -0.907 0 C-N-CA 122.192 1.928 . . . . 0.92 111.07 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.719 ' OH ' HG12 ' A' ' 78' ' ' VAL . 11.5 m-85 -57.18 -49.62 75.41 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 121.48 -0.763 . . . . 1.37 109.467 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.673 ' HB2' HG13 ' A' ' 91' ' ' VAL . . . -72.05 -40.45 68.34 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.529 -0.732 . . . . 0.56 109.365 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.591 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -58.88 -61.65 2.47 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.701 -0.624 . . . . 2.67 109.932 179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -53.91 -45.67 71.22 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.78 -0.575 . . . . 0.57 110.42 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.529 ' HB1' ' CZ2' ' A' ' 27' ' ' TRP . . . -65.63 -37.28 86.13 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.273 -0.892 . . . . 0.6 109.782 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' CD2' HD23 ' A' ' 98' ' ' LEU . 77.9 t80 -65.42 -43.73 89.64 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 121.307 -0.871 . . . . 1.43 109.89 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -48.67 -69.31 0.12 Allowed 'General case' 0 N--CA 1.505 2.275 0 CA-C-O 121.795 0.807 . . . . 1.51 109.627 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.83 -36.64 70.2 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-N 115.971 -0.559 . . . . 1.28 109.66 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' C ' HG23 ' A' ' 24' ' ' VAL . . . -56.36 -37.48 70.11 Favored 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.15 -0.969 . . . . 0.39 108.856 178.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.507 HG22 HG21 ' A' ' 24' ' ' VAL . 79.1 t -74.76 -51.09 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 N-CA-C 108.573 -0.899 . . . . 0.61 108.573 178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -55.97 -45.94 78.78 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.578 -0.701 . . . . 2.15 110.052 179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -79.06 4.79 13.52 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.568 -0.707 . . . . 2.22 110.882 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 55.35 25.0 7.07 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.124 -0.985 . . . . 2.67 110.432 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' VAL . 23.2 t -90.86 -17.73 26.01 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.085 -1.01 . . . . 0.63 110.646 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.507 HG21 HG22 ' A' ' 19' ' ' VAL . 75.8 t -34.19 -52.71 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.661 0 O-C-N 121.391 -0.818 . . . . 0.37 111.901 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.13 -50.75 72.4 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 121.378 -0.826 . . . . 2.15 110.225 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.26 -39.55 62.93 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.216 -0.927 . . . . 3.56 110.063 179.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.773 ' CD2' HD11 ' A' ' 31' ' ' LEU . 17.2 t90 -58.41 -30.31 66.76 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.436 -0.79 . . . . 1.03 109.786 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.558 ' OE1' ' HD2' ' A' ' 99' ' ' ARG . 0.7 OUTLIER -48.13 -46.49 34.33 Favored 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.608 -0.683 . . . . 2.01 109.73 179.158 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -66.4 -47.24 73.91 Favored 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 108.786 -0.82 . . . . 1.63 108.786 178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 21.4 mtt -47.6 -47.48 28.71 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.734 -0.603 . . . . 1.43 109.852 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.784 HD13 ' CD2' ' A' ' 95' ' ' PHE . 1.0 OUTLIER -67.19 -48.21 68.63 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.375 -0.828 . . . . 1.22 109.331 179.332 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.51 -59.32 5.64 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.744 -0.597 . . . . 0.68 109.422 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -53.02 -42.63 65.85 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.46 -0.775 . . . . 1.42 109.617 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.547 ' HB1' HD21 ' A' ' 88' ' ' LEU . . . -60.63 -47.29 86.89 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.346 -0.846 . . . . 0.44 109.733 179.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.404 ' HA ' ' OG1' ' A' ' 38' ' ' THR . . . -73.01 -33.31 65.68 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.516 -0.74 . . . . 0.54 110.025 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -59.68 -50.7 72.81 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.287 -0.883 . . . . 2.2 109.991 179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.0 p -68.62 -41.74 82.97 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.509 -0.744 . . . . 0.59 110.929 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.606 HG23 ' CE1' ' A' ' 60' ' ' PHE . 0.5 OUTLIER -58.86 -30.47 67.74 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 121.101 -1.0 . . . . 0.59 110.952 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HE3' ' HA ' ' A' ' 36' ' ' GLU . 21.8 mtmt -72.09 -15.22 62.0 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.365 -0.834 . . . . 2.48 110.828 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -69.27 131.13 44.39 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.216 -0.928 . . . . 1.8 109.535 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -48.84 -54.25 16.0 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.655 -0.653 . . . . 2.89 110.242 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -54.94 -33.82 62.62 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.616 -0.678 . . . . 2.64 110.258 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.508 ' HG2' ' HA ' ' A' ' 38' ' ' THR . 8.5 tpt -66.38 -44.4 83.24 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 107.786 -1.19 . . . . 0.82 107.786 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.82 -39.98 91.03 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 108.399 -0.963 . . . . 0.9 108.399 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -57.72 -48.44 79.59 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 108.688 -0.856 . . . . 2.18 108.688 178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 17.6 mt -68.93 -35.19 76.51 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.564 -0.71 . . . . 2.06 109.333 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 85' ' ' LEU . 25.8 mt -66.3 -46.96 75.13 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.509 -0.745 . . . . 1.14 109.614 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.9 m -85.87 57.64 4.59 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.384 -0.822 . . . . 2.36 109.516 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -74.03 177.26 45.5 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 110.454 -1.058 . . . . 2.73 110.454 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.47 74.36 0.54 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.308 -1.113 . . . . 2.55 110.304 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.3 mt 56.6 27.29 12.22 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.613 -0.68 . . . . 2.98 111.199 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.91 99.67 36.05 Favored Pre-proline 0 N--CA 1.498 1.945 0 O-C-N 120.962 -1.086 . . . . 1.38 110.265 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.483 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 30.7 Cg_endo -70.84 -45.55 0.98 Allowed 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 122.905 2.403 . . . . 0.97 111.228 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 1.5 pm0 -61.68 -35.76 78.92 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.191 -0.943 . . . . 2.9 109.484 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.434 ' N ' ' HG2' ' A' ' 54' ' ' GLU . 48.9 m -59.56 -56.09 26.36 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.09 -1.006 . . . . 1.58 109.809 179.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -67.31 -37.02 82.69 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.288 -0.882 . . . . 1.18 110.614 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.91 ' HB2' ' CB ' ' A' ' 80' ' ' ALA . . . -67.77 -61.4 1.9 Allowed 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.037 -1.039 . . . . 0.42 110.146 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' A' ' 54' ' ' GLU . 3.9 mm-40 -57.38 -48.07 80.02 Favored 'General case' 0 N--CA 1.501 2.086 0 O-C-N 121.584 -0.697 . . . . 2.46 109.451 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.2 t -56.97 -36.43 70.32 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.267 -0.896 . . . . 0.86 109.234 179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.67 ' HA ' HG12 ' A' ' 63' ' ' VAL . 51.9 t80 -66.48 -48.69 69.07 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.406 -0.809 . . . . 1.34 109.417 179.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -56.11 -39.48 58.92 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.155 0 O-C-N 121.236 -0.915 . . . . 1.06 108.798 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.91 -46.43 52.66 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 121.648 -0.657 . . . . 0.73 110.2 179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.67 HG12 ' HA ' ' A' ' 60' ' ' PHE . 4.7 p -69.56 -32.41 52.65 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.201 0 O-C-N 121.172 -0.955 . . . . 0.69 110.303 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 8.6 t -73.24 -32.84 64.96 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.333 -0.855 . . . . 0.92 110.032 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 108.74 149.14 13.55 Favored Glycine 0 N--CA 1.502 3.043 0 N-CA-C 110.753 -0.939 . . . . 1.89 110.753 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.73 -13.76 36.44 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 121.463 -1.022 . . . . 3.4 111.611 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -70.66 63.79 0.29 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.875 -1.141 . . . . 3.24 109.722 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 29.5 mt -134.9 134.61 40.84 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.217 -0.927 . . . . 0.89 110.451 -179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -62.79 154.11 30.82 Favored 'General case' 0 N--CA 1.497 1.91 0 N-CA-C 109.242 -0.651 . . . . 1.63 109.242 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -38.67 68.27 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.961 -1.087 . . . . 2.89 108.732 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -69.98 -36.83 75.48 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 108.578 -0.897 . . . . 2.3 108.578 177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -62.71 -51.44 55.89 Favored Glycine 0 N--CA 1.502 3.097 0 N-CA-C 110.004 -1.239 . . . . 0.55 110.004 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -59.72 -47.69 84.65 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.51 -0.994 . . . . 1.64 108.911 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.551 ' O ' HG23 ' A' ' 78' ' ' VAL . 42.0 m-20 -61.01 -43.08 99.42 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.559 -0.713 . . . . 1.87 109.212 178.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.2 tt -52.42 -48.95 65.42 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.562 -0.711 . . . . 0.97 109.555 179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.762 HG23 HD21 ' A' ' 85' ' ' LEU . 48.8 mm -57.79 -47.41 86.06 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.126 0 N-CA-C 108.831 -0.803 . . . . 0.66 108.831 179.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -54.64 43.03 Favored 'General case' 0 N--CA 1.497 1.892 0 N-CA-C 109.252 -0.648 . . . . 3.17 109.252 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.719 HG12 ' OH ' ' A' ' 10' ' ' TYR . 40.5 t -52.45 -39.37 28.71 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.214 0 N-CA-C 108.988 -0.745 . . . . 0.94 108.988 178.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.633 ' HB3' ' HA ' ' A' ' 85' ' ' LEU . 4.5 mmm -66.69 -43.65 83.84 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 108.419 -0.956 . . . . 0.76 108.419 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.91 ' CB ' ' HB2' ' A' ' 57' ' ' ALA . . . -66.67 -50.99 61.12 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.642 -0.661 . . . . 0.72 109.761 179.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.99 -42.24 60.19 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.722 -0.611 . . . . 1.95 110.194 179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -85.62 2.61 44.41 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.326 -0.859 . . . . 2.27 110.793 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.98 33.31 83.45 Favored Glycine 0 N--CA 1.503 3.121 0 N-CA-C 110.274 -1.13 . . . . 1.43 110.274 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 30.5 mmt-85 -124.02 17.31 9.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.388 -1.066 . . . . 3.25 110.707 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.017 HD12 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -53.44 -32.84 51.68 Favored 'General case' 0 N--CA 1.507 2.386 0 O-C-N 121.029 -1.044 . . . . 0.49 110.675 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -65.04 -18.44 65.3 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.157 -0.965 . . . . 2.18 110.941 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.403 ' C ' ' HD2' ' A' ' 89' ' ' PRO . . . -81.0 37.02 0.42 Allowed 'General case' 0 N--CA 1.504 2.266 0 O-C-N 120.992 -1.067 . . . . 0.69 110.667 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.68 ' N ' ' HD2' ' A' ' 89' ' ' PRO . 0.1 OUTLIER -68.84 -38.01 10.75 Favored Pre-proline 0 N--CA 1.497 1.92 0 O-C-N 121.02 -1.05 . . . . 0.85 111.196 179.426 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.68 ' HD2' ' N ' ' A' ' 88' ' ' LEU . 30.6 Cg_endo -71.45 -40.04 3.3 Favored 'Trans proline' 0 N--CA 1.479 0.669 0 C-N-CA 121.546 1.497 . . . . 0.56 109.882 179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.562 ' HB2' ' HB2' ' A' ' 7' ' ' ALA . 3.2 m-20 -51.57 -46.29 63.39 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 108.423 -0.954 . . . . 1.76 108.423 177.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.673 HG13 ' HB2' ' A' ' 11' ' ' ALA . 57.8 t -67.29 -43.4 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 N-CA-C 108.509 -0.923 . . . . 1.43 108.509 178.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 tp -56.85 -54.36 47.29 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.823 -0.548 . . . . 1.62 109.662 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.74 -51.36 67.63 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.687 -0.633 . . . . 2.78 109.466 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -57.33 -42.39 81.82 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.367 -0.833 . . . . 1.91 109.29 178.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.784 ' CD2' HD13 ' A' ' 31' ' ' LEU . 16.2 t80 -61.95 -48.22 81.36 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.507 -0.746 . . . . 3.13 109.466 179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.14 -47.54 55.28 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 N-CA-C 108.852 -0.796 . . . . 1.22 108.852 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.657 ' O ' HG23 ' A' ' 101' ' ' VAL . 2.1 t-160 -65.81 -48.89 70.21 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.547 -0.721 . . . . 2.19 109.098 178.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' CD2' ' A' ' 15' ' ' PHE . 1.9 mp -54.53 -46.28 73.55 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.533 -0.729 . . . . 1.14 109.087 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.558 ' HD2' ' OE1' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -59.27 -53.27 60.2 Favored 'General case' 0 N--CA 1.497 1.89 0 N-CA-C 109.059 -0.719 . . . . 3.06 109.059 179.021 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.17 -33.73 67.74 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.684 -0.635 . . . . 0.88 109.996 179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 97' ' ' HIS . 87.8 t -65.54 -60.68 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.454 -0.779 . . . . 1.64 109.499 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 m -51.26 -37.62 48.19 Favored 'General case' 0 N--CA 1.507 2.397 0 O-C-N 121.657 -0.652 . . . . 2.17 110.971 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.11 -32.2 70.77 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.049 -1.032 . . . . 2.97 109.51 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.21 -42.1 8.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.471 -0.768 . . . . 2.46 109.567 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.0 m . . . . . 0 N--CA 1.502 2.158 0 CA-C-O 118.499 -0.762 . . . . 3.74 109.272 179.975 . . . . . . . . 0 0 . 1 stop_ save_