data_1rrb_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 1rrb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 t30 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.079 0.466 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 p -142.72 155.85 44.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.703 . . . . 0.0 110.316 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 tp -104.56 148.6 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.543 -0.723 . . . . 0.0 109.438 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -105.6 94.9 5.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.508 -0.745 . . . . 0.0 111.125 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.1 t -93.64 113.1 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.217 179.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.418 ' CE1' ' HG3' ' A' ' 67' ' ' ARG . 8.2 m-85 -76.28 127.93 33.87 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.503 -0.748 . . . . 0.0 110.675 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -60.41 179.69 0.21 Allowed Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.835 -0.54 . . . . 0.0 109.623 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' CB ' ' A' ' 62' ' ' LEU . 40.5 Cg_endo -66.93 -177.86 1.12 Allowed 'Trans proline' 0 N--CA 1.486 1.041 0 O-C-N 123.103 1.054 . . . . 0.0 110.235 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 t30 57.61 -85.66 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.723 -0.611 . . . . 0.0 110.283 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.55 76.13 0.07 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.052 -1.03 . . . . 0.0 110.173 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -132.72 151.89 51.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.442 -0.786 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 1.3 ttp-105 -115.04 106.1 13.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.728 -0.608 . . . . 0.0 109.93 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 m -121.61 146.24 47.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.471 -0.768 . . . . 0.0 109.741 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.8 p -144.47 131.47 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.606 -0.684 . . . . 0.0 109.734 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.1 177.71 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.488 -0.758 . . . . 0.0 110.639 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -81.69 114.91 20.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.658 -0.651 . . . . 0.0 110.261 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.6 m -118.99 66.96 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -90.0 -165.29 1.31 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 56.51 -85.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.13 38.94 0.19 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.071 -2.412 . . . . 0.0 107.071 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.3 mtt -58.68 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 O-C-N 122.161 -0.611 . . . . 0.0 110.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 p -62.45 165.67 5.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.627 -0.671 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.64 -28.74 67.5 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.513 -0.742 . . . . 0.0 110.194 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.54 -34.83 73.16 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.674 -0.641 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.71 -48.46 12.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.384 -0.823 . . . . 0.0 110.999 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 81.4 m -65.8 -36.51 83.71 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.438 -0.789 . . . . 0.0 110.853 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD13 ' CZ3' ' A' ' 114' ' ' TRP . 94.0 mt -79.1 -51.27 9.78 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.78 . . . . 0.0 110.58 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 ttp -50.88 -26.55 5.98 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.317 -0.864 . . . . 0.0 110.513 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 30.8 mmtt -75.0 -69.98 0.44 Allowed 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.326 0.584 . . . . 0.0 109.82 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.26 27.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.31 -0.869 . . . . 0.0 109.124 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.0 tt -71.35 -45.26 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.742 179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -77.57 -28.75 51.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.791 . . . . 0.0 109.974 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 66.6 t -62.33 -31.34 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.569 -0.707 . . . . 0.0 109.411 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -97.01 -17.33 20.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.684 -0.635 . . . . 0.0 110.251 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.66 23.53 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.99 -153.66 0.3 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.545 -0.974 . . . . 0.0 110.754 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -160.37 151.75 16.16 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.518 -0.739 . . . . 0.0 110.17 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -76.23 -33.75 3.26 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 O-C-N 123.393 1.207 . . . . 0.0 110.554 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.39 -23.72 62.84 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.575 -0.703 . . . . 0.0 110.735 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.01 -25.24 11.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.413 -0.804 . . . . 0.0 110.789 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.4 m -97.37 143.52 28.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.431 -0.793 . . . . 0.0 110.442 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.419 ' HB2' ' CE2' ' A' ' 99' ' ' PHE . . . -123.09 157.68 32.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.582 -0.699 . . . . 0.0 110.099 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 32.8 m -100.1 150.29 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.536 -0.728 . . . . 0.0 110.316 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.419 ' CE2' ' HB2' ' A' ' 97' ' ' ALA . 62.9 m-85 -150.54 135.7 17.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.529 -0.732 . . . . 0.0 110.102 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -89.85 151.44 21.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.454 -0.779 . . . . 0.0 109.658 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.49 143.15 12.54 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.276 -0.89 . . . . 0.0 111.015 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 mp -56.17 103.44 0.1 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.777 . . . . 0.0 110.743 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -73.2 67.88 0.97 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.602 -0.686 . . . . 0.0 110.037 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 54.61 64.38 1.83 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.414 -0.804 . . . . 0.0 110.467 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.38 -157.26 0.68 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.577 -0.702 . . . . 0.0 110.148 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -63.88 -76.0 0.07 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.516 -0.74 . . . . 0.0 110.19 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.96 34.43 0.12 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -136.57 141.37 43.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.503 -0.999 . . . . 0.0 110.242 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 149.67 21.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.497 -0.752 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.29 23.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.577 -0.702 . . . . 0.0 110.17 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.25 164.83 24.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.19 142.48 24.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.616 -0.678 . . . . 0.0 110.057 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.37 166.25 19.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.568 -0.708 . . . . 0.0 109.946 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.422 ' CZ3' HD13 ' A' ' 82' ' ' LEU . 2.3 m95 -96.12 33.86 1.67 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.564 -0.71 . . . . 0.0 110.111 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -157.26 23.2 0.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.491 -0.755 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 8.9 t -75.96 160.24 30.07 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.379 -0.826 . . . . 0.0 109.671 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.4 115.33 26.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.709 . . . . 0.0 110.789 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.74 -27.31 61.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 109.764 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -66.75 -12.26 57.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.553 -0.717 . . . . 0.0 110.646 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.18 -20.73 13.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.913 . . . . 0.0 109.376 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.3 tp -89.0 -10.54 47.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.547 -0.72 . . . . 0.0 110.411 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.49 148.33 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.707 0 O-C-N 121.574 -0.704 . . . . 0.0 110.078 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.02 -34.27 5.9 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -100.07 -166.4 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.835 -0.803 . . . . 0.0 109.215 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -136.47 126.33 25.78 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.3 -0.875 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -95.25 153.74 17.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -131.25 155.7 46.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 110.506 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 45.9 t -144.08 142.03 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.186 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.22 -172.25 4.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.573 -0.705 . . . . 0.0 110.179 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.98 110.36 19.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 110.23 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.2 pp . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.291 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' HA ' HG13 ' A' ' 122' ' ' ILE . 3.7 t30 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.079 0.466 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 71' ' ' ASN . 1.3 p -142.72 155.85 44.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.703 . . . . 0.0 110.316 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.797 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.2 tp -104.56 148.6 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.543 -0.723 . . . . 0.0 109.438 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -105.6 94.9 5.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.508 -0.745 . . . . 0.0 111.125 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.675 HG13 HD23 ' A' ' 126' ' ' LEU . 61.1 t -93.64 113.1 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.217 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 67' ' ' ARG . 8.2 m-85 -76.28 127.93 33.87 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.503 -0.748 . . . . 0.0 110.675 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -60.41 179.69 0.21 Allowed Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.835 -0.54 . . . . 0.0 109.623 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' LEU . 40.5 Cg_endo -66.93 -177.86 1.12 Allowed 'Trans proline' 0 N--CA 1.486 1.041 0 O-C-N 123.103 1.054 . . . . 0.0 110.235 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 t30 57.61 -85.66 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.723 -0.611 . . . . 0.0 110.283 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.55 76.13 0.07 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.052 -1.03 . . . . 0.0 110.173 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -132.72 151.89 51.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.442 -0.786 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 1.3 ttp-105 -115.04 106.1 13.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.728 -0.608 . . . . 0.0 109.93 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 m -121.61 146.24 47.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.471 -0.768 . . . . 0.0 109.741 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 58' ' ' ILE . 7.8 p -144.47 131.47 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.606 -0.684 . . . . 0.0 109.734 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.1 177.71 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.488 -0.758 . . . . 0.0 110.639 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.804 ' HA ' HG22 ' A' ' 57' ' ' THR . 41.4 m-80 -81.69 114.91 20.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.658 -0.651 . . . . 0.0 110.261 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.612 HG11 ' CG2' ' A' ' 58' ' ' ILE . 27.6 m -118.99 66.96 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -90.0 -165.29 1.31 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 56.51 -85.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.13 38.94 0.19 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.071 -2.412 . . . . 0.0 107.071 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.3 mtt -58.68 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 O-C-N 122.161 -0.611 . . . . 0.0 110.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 p -62.45 165.67 5.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.627 -0.671 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.886 HD22 HD11 ' A' ' 82' ' ' LEU . 6.4 mt -59.64 -28.74 67.5 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.513 -0.742 . . . . 0.0 110.194 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.54 -34.83 73.16 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.674 -0.641 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.71 -48.46 12.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.384 -0.823 . . . . 0.0 110.999 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' CYS . . . . . 0.475 ' SG ' HG12 ' A' ' 72' ' ' VAL . 81.4 m -65.8 -36.51 83.71 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.438 -0.789 . . . . 0.0 110.853 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.886 HD11 HD22 ' A' ' 78' ' ' LEU . 94.0 mt -79.1 -51.27 9.78 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.78 . . . . 0.0 110.58 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 ttp -50.88 -26.55 5.98 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.317 -0.864 . . . . 0.0 110.513 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 88' ' ' VAL . 30.8 mmtt -75.0 -69.98 0.44 Allowed 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.326 0.584 . . . . 0.0 109.82 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.26 27.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.31 -0.869 . . . . 0.0 109.124 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.622 HD11 ' C ' ' A' ' 92' ' ' GLN . 9.0 tt -71.35 -45.26 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.742 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -77.57 -28.75 51.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.791 . . . . 0.0 109.974 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 84' ' ' LYS . 66.6 t -62.33 -31.34 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.569 -0.707 . . . . 0.0 109.411 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -97.01 -17.33 20.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.684 -0.635 . . . . 0.0 110.251 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.66 23.53 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.99 -153.66 0.3 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.545 -0.974 . . . . 0.0 110.754 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.622 ' C ' HD11 ' A' ' 86' ' ' LEU . 23.8 pt20 -160.37 151.75 16.16 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.518 -0.739 . . . . 0.0 110.17 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' N ' HD11 ' A' ' 86' ' ' LEU . 49.6 Cg_endo -76.23 -33.75 3.26 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 O-C-N 123.393 1.207 . . . . 0.0 110.554 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.39 -23.72 62.84 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.575 -0.703 . . . . 0.0 110.735 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.01 -25.24 11.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.413 -0.804 . . . . 0.0 110.789 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.4 m -97.37 143.52 28.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.431 -0.793 . . . . 0.0 110.442 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 131' ' ' LEU . . . -123.09 157.68 32.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.582 -0.699 . . . . 0.0 110.099 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.466 HG12 HD13 ' A' ' 82' ' ' LEU . 32.8 m -100.1 150.29 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.536 -0.728 . . . . 0.0 110.316 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HE2' ' HB3' ' A' ' 97' ' ' ALA . 62.9 m-85 -150.54 135.7 17.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.529 -0.732 . . . . 0.0 110.102 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ARG . . . . . 0.756 ' CG ' ' HB3' ' A' ' 110' ' ' ALA . 12.5 ptm180 -89.85 151.44 21.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.454 -0.779 . . . . 0.0 109.658 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.49 143.15 12.54 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.276 -0.89 . . . . 0.0 111.015 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.592 HD21 ' N ' ' A' ' 108' ' ' LYS . 4.1 mp -56.17 103.44 0.1 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.777 . . . . 0.0 110.743 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.2 67.88 0.97 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.602 -0.686 . . . . 0.0 110.037 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 54.61 64.38 1.83 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.414 -0.804 . . . . 0.0 110.467 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.38 -157.26 0.68 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.577 -0.702 . . . . 0.0 110.148 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -63.88 -76.0 0.07 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.516 -0.74 . . . . 0.0 110.19 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.96 34.43 0.12 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.592 ' N ' HD21 ' A' ' 102' ' ' LEU . 7.5 pttp -136.57 141.37 43.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.503 -0.999 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 149.67 21.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.497 -0.752 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.756 ' HB3' ' CG ' ' A' ' 100' ' ' ARG . . . -89.77 148.29 23.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.577 -0.702 . . . . 0.0 110.17 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.25 164.83 24.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.526 ' CD1' HD12 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -150.19 142.48 24.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.616 -0.678 . . . . 0.0 110.057 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.37 166.25 19.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.568 -0.708 . . . . 0.0 109.946 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.509 ' CZ3' HD12 ' A' ' 82' ' ' LEU . 2.3 m95 -96.12 33.86 1.67 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.564 -0.71 . . . . 0.0 110.111 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -157.26 23.2 0.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.491 -0.755 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.694 HG22 HD12 ' A' ' 78' ' ' LEU . 8.9 t -75.96 160.24 30.07 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.379 -0.826 . . . . 0.0 109.671 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.4 115.33 26.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.709 . . . . 0.0 110.789 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.74 -27.31 61.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 109.764 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 72' ' ' VAL . . . -66.75 -12.26 57.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.553 -0.717 . . . . 0.0 110.646 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.18 -20.73 13.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.913 . . . . 0.0 109.376 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' HB3' HD13 ' A' ' 58' ' ' ILE . 13.3 tp -89.0 -10.54 47.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.547 -0.72 . . . . 0.0 110.411 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -43.49 148.33 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.707 0 O-C-N 121.574 -0.704 . . . . 0.0 110.078 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.02 -34.27 5.9 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -100.07 -166.4 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.835 -0.803 . . . . 0.0 109.215 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -136.47 126.33 25.78 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.3 -0.875 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.0 tt -95.25 153.74 17.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -131.25 155.7 46.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 110.506 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 97' ' ' ALA . 45.9 t -144.08 142.03 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.186 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.22 -172.25 4.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.573 -0.705 . . . . 0.0 110.179 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.98 110.36 19.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 110.23 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.753 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 3.2 pp . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.408 ' HA ' HG13 ' A' ' 122' ' ' ILE . 3.7 t30 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.079 0.466 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.804 HG22 ' HA ' ' A' ' 71' ' ' ASN . 1.3 p -142.72 155.85 44.93 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.574 -0.703 . . . . 0.0 110.316 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.797 ' O ' HG23 ' A' ' 69' ' ' VAL . 5.2 tp -104.56 148.6 8.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.543 -0.723 . . . . 0.0 109.438 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -105.6 94.9 5.45 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.508 -0.745 . . . . 0.0 111.125 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.675 HG13 HD23 ' A' ' 126' ' ' LEU . 61.1 t -93.64 113.1 27.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 109.217 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 67' ' ' ARG . 8.2 m-85 -76.28 127.93 33.87 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.503 -0.748 . . . . 0.0 110.675 -179.29 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' CB ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 mp -60.41 179.69 0.21 Allowed Pre-proline 0 N--CA 1.498 1.959 0 O-C-N 121.835 -0.54 . . . . 0.0 109.623 179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' HD2' ' CB ' ' A' ' 62' ' ' LEU . 40.5 Cg_endo -66.93 -177.86 1.12 Allowed 'Trans proline' 0 N--CA 1.486 1.041 0 O-C-N 123.103 1.054 . . . . 0.0 110.235 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 t30 57.61 -85.66 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.723 -0.611 . . . . 0.0 110.283 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.55 76.13 0.07 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.052 -1.03 . . . . 0.0 110.173 179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -132.72 151.89 51.87 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.442 -0.786 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.415 ' HG3' ' CE1' ' A' ' 61' ' ' PHE . 1.3 ttp-105 -115.04 106.1 13.73 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.728 -0.608 . . . . 0.0 109.93 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 m -121.61 146.24 47.18 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.471 -0.768 . . . . 0.0 109.741 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 58' ' ' ILE . 7.8 p -144.47 131.47 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.606 -0.684 . . . . 0.0 109.734 179.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.1 m -131.1 177.71 6.57 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.488 -0.758 . . . . 0.0 110.639 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.804 ' HA ' HG22 ' A' ' 57' ' ' THR . 41.4 m-80 -81.69 114.91 20.68 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.658 -0.651 . . . . 0.0 110.261 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.612 HG11 ' CG2' ' A' ' 58' ' ' ILE . 27.6 m -118.99 66.96 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.69 -0.631 . . . . 0.0 110.328 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.2 tpp85 -90.0 -165.29 1.31 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.71 -0.619 . . . . 0.0 110.022 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.7 m-20 56.51 -85.63 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.591 -0.693 . . . . 0.0 110.685 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.13 38.94 0.19 Allowed Glycine 0 N--CA 1.488 2.117 0 N-CA-C 107.071 -2.412 . . . . 0.0 107.071 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.3 mtt -58.68 89.13 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.287 0 O-C-N 122.161 -0.611 . . . . 0.0 110.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 54.8 p -62.45 165.67 5.93 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.627 -0.671 . . . . 0.0 109.863 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.886 HD22 HD11 ' A' ' 82' ' ' LEU . 6.4 mt -59.64 -28.74 67.5 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.513 -0.742 . . . . 0.0 110.194 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -59.54 -34.83 73.16 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.674 -0.641 . . . . 0.0 110.818 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -80.71 -48.46 12.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.384 -0.823 . . . . 0.0 110.999 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' CYS . . . . . 0.475 ' SG ' HG12 ' A' ' 72' ' ' VAL . 81.4 m -65.8 -36.51 83.71 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.438 -0.789 . . . . 0.0 110.853 -179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.886 HD11 HD22 ' A' ' 78' ' ' LEU . 94.0 mt -79.1 -51.27 9.78 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.453 -0.78 . . . . 0.0 110.58 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 3.9 ttp -50.88 -26.55 5.98 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.317 -0.864 . . . . 0.0 110.513 179.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.789 ' O ' HG23 ' A' ' 88' ' ' VAL . 30.8 mmtt -75.0 -69.98 0.44 Allowed 'General case' 0 N--CA 1.499 1.983 0 CA-C-O 121.326 0.584 . . . . 0.0 109.82 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.26 27.53 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.31 -0.869 . . . . 0.0 109.124 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.622 HD11 ' C ' ' A' ' 92' ' ' GLN . 9.0 tt -71.35 -45.26 63.34 Favored 'General case' 0 N--CA 1.492 1.662 0 C-N-CA 120.236 -0.586 . . . . 0.0 109.742 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt -77.57 -28.75 51.81 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.435 -0.791 . . . . 0.0 109.974 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 84' ' ' LYS . 66.6 t -62.33 -31.34 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.569 -0.707 . . . . 0.0 109.411 179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 1.1 mmt180 -97.01 -17.33 20.1 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.684 -0.635 . . . . 0.0 110.251 179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.66 23.53 Favored Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.264 -1.535 . . . . 0.0 109.264 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.6 mt -89.99 -153.66 0.3 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.545 -0.974 . . . . 0.0 110.754 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.622 ' C ' HD11 ' A' ' 86' ' ' LEU . 23.8 pt20 -160.37 151.75 16.16 Favored Pre-proline 0 N--CA 1.495 1.791 0 O-C-N 121.518 -0.739 . . . . 0.0 110.17 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.539 ' N ' HD11 ' A' ' 86' ' ' LEU . 49.6 Cg_endo -76.23 -33.75 3.26 Favored 'Trans proline' 0 C--N 1.316 -1.135 0 O-C-N 123.393 1.207 . . . . 0.0 110.554 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -59.39 -23.72 62.84 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.575 -0.703 . . . . 0.0 110.735 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 11.3 t -107.01 -25.24 11.69 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.413 -0.804 . . . . 0.0 110.789 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 57.4 m -97.37 143.52 28.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.431 -0.793 . . . . 0.0 110.442 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.753 ' HB2' ' HB3' ' A' ' 131' ' ' LEU . . . -123.09 157.68 32.31 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.582 -0.699 . . . . 0.0 110.099 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.466 HG12 HD13 ' A' ' 82' ' ' LEU . 32.8 m -100.1 150.29 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.536 -0.728 . . . . 0.0 110.316 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.407 ' HE2' ' HB3' ' A' ' 97' ' ' ALA . 62.9 m-85 -150.54 135.7 17.76 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.529 -0.732 . . . . 0.0 110.102 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ARG . . . . . 0.756 ' CG ' ' HB3' ' A' ' 110' ' ' ALA . 12.5 ptm180 -89.85 151.44 21.76 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.454 -0.779 . . . . 0.0 109.658 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.49 143.15 12.54 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.276 -0.89 . . . . 0.0 111.015 -179.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.592 HD21 ' N ' ' A' ' 108' ' ' LYS . 4.1 mp -56.17 103.44 0.1 Allowed 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.456 -0.777 . . . . 0.0 110.743 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -73.2 67.88 0.97 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.602 -0.686 . . . . 0.0 110.037 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 54.61 64.38 1.83 Allowed 'General case' 0 N--CA 1.502 2.144 0 O-C-N 121.414 -0.804 . . . . 0.0 110.467 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.38 -157.26 0.68 Allowed 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.577 -0.702 . . . . 0.0 110.148 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -63.88 -76.0 0.07 Allowed 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.516 -0.74 . . . . 0.0 110.19 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . -172.96 34.43 0.12 Allowed Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.724 -1.35 . . . . 0.0 109.724 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.592 ' N ' HD21 ' A' ' 102' ' ' LEU . 7.5 pttp -136.57 141.37 43.33 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.503 -0.999 . . . . 0.0 110.242 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.8 149.67 21.81 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.497 -0.752 . . . . 0.0 110.311 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.756 ' HB3' ' CG ' ' A' ' 100' ' ' ARG . . . -89.77 148.29 23.32 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.577 -0.702 . . . . 0.0 110.17 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -71.25 164.83 24.91 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.565 -0.709 . . . . 0.0 110.311 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.526 ' CD1' HD12 ' A' ' 126' ' ' LEU . 0.4 OUTLIER -150.19 142.48 24.22 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.616 -0.678 . . . . 0.0 110.057 179.597 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -69.37 166.25 19.04 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.568 -0.708 . . . . 0.0 109.946 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.509 ' CZ3' HD12 ' A' ' 82' ' ' LEU . 2.3 m95 -96.12 33.86 1.67 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.564 -0.71 . . . . 0.0 110.111 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -157.26 23.2 0.3 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.491 -0.755 . . . . 0.0 111.051 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.694 HG22 HD12 ' A' ' 78' ' ' LEU . 8.9 t -75.96 160.24 30.07 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.379 -0.826 . . . . 0.0 109.671 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -89.4 115.33 26.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.566 -0.709 . . . . 0.0 110.789 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.74 -27.31 61.95 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.543 -0.723 . . . . 0.0 109.764 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 72' ' ' VAL . . . -66.75 -12.26 57.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.553 -0.717 . . . . 0.0 110.646 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.18 -20.73 13.2 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.238 -0.913 . . . . 0.0 109.376 178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.445 ' HB3' HD13 ' A' ' 58' ' ' ILE . 13.3 tp -89.0 -10.54 47.21 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.547 -0.72 . . . . 0.0 110.411 179.262 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.606 HD13 ' C ' ' A' ' 122' ' ' ILE . 0.0 OUTLIER -43.49 148.33 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.707 0 O-C-N 121.574 -0.704 . . . . 0.0 110.078 179.797 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 103.02 -34.27 5.9 Favored Glycine 0 N--CA 1.49 2.255 0 N-CA-C 107.737 -2.145 . . . . 0.0 107.737 -177.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -100.07 -166.4 1.33 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.835 -0.803 . . . . 0.0 109.215 178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -136.47 126.33 25.78 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.3 -0.875 . . . . 0.0 110.84 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.873 ' CD1' HD11 ' A' ' 78' ' ' LEU . 2.0 tt -95.25 153.74 17.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -131.25 155.7 46.67 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.438 -0.789 . . . . 0.0 110.506 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 97' ' ' ALA . 45.9 t -144.08 142.03 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 C-N-CA 120.149 -0.62 . . . . 0.0 110.186 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.22 -172.25 4.12 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.573 -0.705 . . . . 0.0 110.179 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -86.98 110.36 19.99 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.594 -0.692 . . . . 0.0 110.23 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.753 ' HB3' ' HB2' ' A' ' 97' ' ' ALA . 3.2 pp . . . . . 0 N--CA 1.496 1.838 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.291 -179.956 . . . . . . . . 1 1 . 1 stop_ save_