data_1i87_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 1i87 _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 core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.161 0.505 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.9 t 53.64 101.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.401 -0.812 . . . . 0.0 110.639 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -89.61 151.12 22.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 109.768 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.91 85.28 5.56 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.539 -0.726 . . . . 0.0 110.303 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -61.74 -168.69 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.709 . . . . 0.0 109.966 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.3 p -125.79 167.72 14.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.381 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 3.6 tp -76.11 -35.37 59.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.655 -0.653 . . . . 0.0 110.285 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -69.61 -29.99 67.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.51 -0.744 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.63 -28.95 51.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -88.94 -34.31 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -90.35 48.69 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -150.35 28.88 0.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.489 -0.757 . . . . 0.0 110.208 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 74.9 m-70 -101.66 48.1 0.89 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.591 -0.693 . . . . 0.0 110.253 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -80.6 -29.63 36.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.518 -0.739 . . . . 0.0 110.146 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.95 -157.97 0.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.55 -0.719 . . . . 0.0 110.152 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 52.99 -159.34 0.13 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.422 -0.799 . . . . 0.0 110.78 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -121.76 -155.2 0.63 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.552 -0.718 . . . . 0.0 109.691 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m 53.13 98.53 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.257 -0.902 . . . . 0.0 110.802 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -75.64 136.82 40.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 110.347 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.49 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 4.8 m95 -107.29 76.64 1.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.58 -0.7 . . . . 0.0 110.13 177.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.85 166.89 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.717 . . . . 0.0 109.918 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.25 138.16 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.702 . . . . 0.0 109.89 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -86.16 -76.2 0.35 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.582 -0.699 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -125.29 -53.01 1.61 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.477 -0.764 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -141.31 20.65 2.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.7 -0.625 . . . . 0.0 110.231 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -119.03 140.23 50.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.413 -0.805 . . . . 0.0 110.169 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.9 t -91.79 126.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.61 -0.681 . . . . 0.0 109.749 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -106.45 118.01 35.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 11.2 t0 -95.07 73.74 3.44 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.72 57.42 3.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.646 -0.658 . . . . 0.0 110.164 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.2 t -69.4 -25.86 64.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.392 -0.817 . . . . 0.0 110.547 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.48 -26.08 38.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.526 -0.734 . . . . 0.0 110.396 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 72.6 t80 -84.66 -28.97 26.04 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.768 . . . . 0.0 110.192 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.26 -34.09 73.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.55 -0.719 . . . . 0.0 110.238 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -104.17 28.71 6.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.237 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -110.1 -48.8 3.14 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.583 -0.698 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.45 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 41.1 m80 -115.73 84.48 12.8 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.593 -0.692 . . . . 0.0 110.133 177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.05 91.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 O-C-N 123.408 1.215 . . . . 0.0 111.05 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.04 -46.32 0.07 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.81 36.28 0.23 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 55.53 -87.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.68 -0.894 . . . . 0.0 110.807 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.7 106.49 18.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.084 -1.01 . . . . 0.0 110.355 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.62 26.6 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.361 -0.837 . . . . 0.0 110.481 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.456 -0.777 . . . . 0.0 110.299 177.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.089 0.471 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 1.2 tt -81.35 -27.41 34.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.568 -0.708 . . . . 0.0 110.306 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -94.54 43.35 1.1 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 0.0 110.205 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -146.11 -67.58 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.57 -0.706 . . . . 0.0 110.154 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.448 ' CG2' ' CD1' ' A' ' 74' ' ' TYR . 10.8 t -67.05 -12.6 60.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.504 -0.748 . . . . 0.0 111.011 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD1' ' CG2' ' A' ' 73' ' ' THR . 78.3 m-85 -94.48 25.27 4.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.215 -0.928 . . . . 0.0 110.453 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.416 HG12 ' CD2' ' A' ' 30' ' ' TYR . 69.5 mt -114.08 164.88 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.36 -0.838 . . . . 0.0 110.403 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 29.1 pt -127.62 -36.7 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.867 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.12 -151.37 9.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -120.54 -175.41 3.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.997 . . . . 0.0 110.318 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 6.9 tt -109.86 147.12 33.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.597 -0.689 . . . . 0.0 110.162 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.19 112.16 5.39 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.535 -0.728 . . . . 0.0 109.969 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.05 -26.11 24.58 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 O-C-N 123.103 1.054 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.37 -25.84 64.59 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.587 -0.696 . . . . 0.0 110.527 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.74 -22.64 15.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.469 -0.769 . . . . 0.0 110.724 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -56.11 -172.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.334 -0.854 . . . . 0.0 110.647 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 m -74.03 76.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.593 -0.692 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.61 75.69 0.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.157 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.8 mm . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 177.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 120.907 0.384 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.0 t 56.79 166.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 121.534 0.683 . . . . 0.0 110.704 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -144.48 142.32 30.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.575 -0.703 . . . . 0.0 109.649 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -79.9 78.89 6.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.558 -0.713 . . . . 0.0 110.346 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -61.76 -168.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.635 -0.666 . . . . 0.0 109.914 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 p -125.02 177.34 6.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.183 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mp -83.32 -44.25 15.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.611 -0.68 . . . . 0.0 110.169 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.67 -26.95 67.47 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 110.458 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.19 -40.85 21.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.477 -0.765 . . . . 0.0 110.281 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.47 -26.78 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.595 -0.69 . . . . 0.0 110.217 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.19 49.13 1.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.461 -0.774 . . . . 0.0 110.341 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -159.95 32.47 0.18 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.536 -0.728 . . . . 0.0 110.251 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -121.7 92.96 3.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.541 -0.725 . . . . 0.0 110.206 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -167.7 32.67 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.56 -0.713 . . . . 0.0 110.308 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -168.57 -40.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.566 -0.708 . . . . 0.0 110.256 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 p -82.2 57.91 3.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.465 -0.772 . . . . 0.0 110.333 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 55.85 173.67 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.268 -0.895 . . . . 0.0 110.713 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 t 53.45 179.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.614 -0.679 . . . . 0.0 110.844 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -158.51 133.73 8.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 110.302 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -104.42 75.45 1.24 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.524 -0.735 . . . . 0.0 110.094 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.59 145.04 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.5 -0.75 . . . . 0.0 109.897 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 138.18 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 0.0 109.797 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 30' ' ' TYR . 4.4 mm? -88.54 -38.21 15.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.605 -0.684 . . . . 0.0 109.909 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -170.08 -39.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.573 -0.704 . . . . 0.0 109.688 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -138.98 -44.29 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.728 -0.607 . . . . 0.0 109.71 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.42 133.64 48.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 110.334 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 128.18 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.694 -0.629 . . . . 0.0 109.522 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 75' ' ' ILE . 21.6 m-85 -99.69 124.58 45.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.731 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.15 79.22 2.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 170.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.33 48.41 1.63 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.631 -0.668 . . . . 0.0 110.619 -174.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -69.55 -23.99 63.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 0.0 110.426 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -26.73 31.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.469 -0.769 . . . . 0.0 110.276 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.469 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 57.2 t80 -90.52 17.15 7.75 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.463 -0.773 . . . . 0.0 110.971 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.52 -29.28 9.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.243 -0.911 . . . . 0.0 110.21 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -97.62 -25.51 15.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.596 -0.69 . . . . 0.0 110.475 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.79 -28.21 40.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.431 -0.793 . . . . 0.0 110.308 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.469 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 28.7 m80 -117.78 82.66 16.88 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.547 -0.721 . . . . 0.0 110.228 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.0 103.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 O-C-N 123.372 1.196 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.02 -44.91 0.23 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.3 90.22 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 56.28 -86.7 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.588 -0.948 . . . . 0.0 110.765 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.19 96.5 7.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.068 -1.02 . . . . 0.0 110.179 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -22.95 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.439 -0.788 . . . . 0.0 110.603 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.438 -0.789 . . . . 0.0 110.361 178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.071 0.462 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 4.5 tp -81.22 -25.34 36.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.631 -0.668 . . . . 0.0 110.439 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 p -72.06 64.83 0.54 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.498 -0.751 . . . . 0.0 110.04 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -155.23 -46.13 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 110.039 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -100.12 27.26 5.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.585 -0.697 . . . . 0.0 110.105 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -129.61 28.82 5.12 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.56 -0.713 . . . . 0.0 110.034 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.6 mt -110.4 164.55 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.528 -0.732 . . . . 0.0 110.157 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.9 pt -125.44 -34.66 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.573 -0.704 . . . . 0.0 111.066 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.83 -158.58 21.6 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.91 -169.57 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.949 . . . . 0.0 110.225 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 tt -106.36 150.8 25.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.577 -0.702 . . . . 0.0 110.115 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.78 110.78 2.89 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.527 -0.733 . . . . 0.0 110.256 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.38 -24.1 26.47 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.15 1.079 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -27.31 64.89 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.521 -0.737 . . . . 0.0 110.502 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.84 -28.16 10.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.466 -0.771 . . . . 0.0 110.348 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -75.74 -41.11 54.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 0.0 110.22 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -154.38 0.28 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.598 -0.689 . . . . 0.0 110.131 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.78 79.13 1.47 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 109.967 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.308 179.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.129 0.49 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.1 t -143.71 135.3 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.516 -0.74 . . . . 0.0 110.065 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -104.28 145.33 30.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.688 -0.632 . . . . 0.0 109.542 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.78 83.65 5.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.506 -0.747 . . . . 0.0 110.426 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -73.34 135.07 44.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.651 -0.655 . . . . 0.0 109.893 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -74.95 163.64 27.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.529 -0.732 . . . . 0.0 110.358 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CB ' ' CB ' ' A' ' 83' ' ' ASP . 3.7 tp -78.78 -26.98 44.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.428 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -75.87 -27.69 57.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.482 -0.761 . . . . 0.0 110.371 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 7.1 tt0 -75.13 -39.54 60.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.502 -0.749 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.06 -26.29 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.503 -0.748 . . . . 0.0 110.242 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.12 48.72 1.6 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 110.407 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.79 28.87 0.27 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.448 -0.782 . . . . 0.0 110.096 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 57.6 m-70 -114.65 -167.17 1.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.304 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -143.87 -167.65 2.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.539 -0.726 . . . . 0.0 110.12 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -105.12 -156.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.534 -0.729 . . . . 0.0 110.208 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.38 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.613 -0.68 . . . . 0.0 110.918 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -58.03 -34.41 70.03 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.22 -0.925 . . . . 0.0 110.563 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -168.0 166.66 13.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.506 -0.746 . . . . 0.0 110.26 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -140.96 122.19 14.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.532 -0.73 . . . . 0.0 110.466 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.405 ' CE3' HG12 ' A' ' 29' ' ' VAL . 5.8 m95 -99.39 98.24 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 0.0 109.991 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -103.43 127.75 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.564 -0.71 . . . . 0.0 110.382 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -85.78 149.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.544 -0.722 . . . . 0.0 110.132 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -126.0 -76.97 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.557 -0.714 . . . . 0.0 109.633 177.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 15.7 p80 -135.79 91.58 2.72 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.478 -0.764 . . . . 0.0 109.338 174.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 23.3 t-160 55.22 22.02 4.42 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.426 -0.797 . . . . 0.0 110.506 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.55 149.82 49.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.384 -0.822 . . . . 0.0 110.013 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.405 HG12 ' CE3' ' A' ' 22' ' ' TRP . 48.8 t -111.54 133.75 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.011 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 12.8 m-85 -106.65 136.17 46.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.603 -0.686 . . . . 0.0 111.07 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 19.9 t70 -110.04 84.03 1.86 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.79 44.12 1.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.682 -0.636 . . . . 0.0 110.723 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -68.93 -31.24 69.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 0.0 109.957 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -73.56 -29.09 62.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.573 -0.704 . . . . 0.0 110.042 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -85.03 -27.32 26.46 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.514 -0.742 . . . . 0.0 109.879 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -58.44 -35.64 72.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.558 -0.713 . . . . 0.0 110.232 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.65 23.42 6.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.562 -0.711 . . . . 0.0 110.53 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -106.71 -56.26 2.22 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.463 -0.773 . . . . 0.0 109.976 177.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CE1' ' OE2' ' A' ' 38' ' ' GLU . 52.9 m80 -113.73 91.05 20.06 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.32 92.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 O-C-N 123.433 1.228 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 -60.67 0.82 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.53 -29.97 0.31 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -164.41 -156.41 0.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.601 -0.94 . . . . 0.0 109.95 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.31 101.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.375 -0.828 . . . . 0.0 110.21 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.1 19.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.554 -0.716 . . . . 0.0 111.005 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.0 110.094 176.603 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.035 0.445 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -28.71 32.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.587 -0.695 . . . . 0.0 110.278 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 p -82.27 -21.27 36.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.568 -0.707 . . . . 0.0 110.676 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -87.71 -20.44 26.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.404 -0.81 . . . . 0.0 110.997 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 p -99.47 -24.13 14.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.373 -0.829 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -92.19 44.77 1.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 110.484 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 75' ' ' ILE . 51.9 mt -119.25 163.99 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.433 -0.792 . . . . 0.0 110.038 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.402 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 29.5 pt -126.6 -36.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.509 -0.745 . . . . 0.0 111.218 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -172.57 -148.69 6.36 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -133.29 -174.87 3.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.582 -0.952 . . . . 0.0 110.625 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tp -100.53 150.12 23.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.597 -0.689 . . . . 0.0 110.231 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -72.09 129.09 88.28 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.478 -0.764 . . . . 0.0 109.98 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 -21.25 23.5 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.217 1.114 . . . . 0.0 111.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -49.91 -48.22 51.76 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.298 -0.876 . . . . 0.0 111.486 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' CB ' ' CB ' ' A' ' 9' ' ' LEU . 6.6 m-20 -94.29 -26.99 16.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.458 -0.776 . . . . 0.0 110.423 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.447 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 5.5 ttp85 -61.74 -157.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.456 -0.778 . . . . 0.0 110.041 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -61.57 88.27 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.701 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 47.55 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.554 -0.717 . . . . 0.0 110.197 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.524 -0.735 . . . . 0.0 110.028 178.253 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 120.983 0.421 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.5 t 56.86 166.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.489 0.661 . . . . 0.0 110.735 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -137.32 -154.38 0.54 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.737 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.11 79.58 1.76 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 110.262 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.6 -165.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.633 -0.667 . . . . 0.0 109.987 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -121.43 172.36 8.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.52 -0.737 . . . . 0.0 110.45 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.09 -30.7 49.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.651 -0.656 . . . . 0.0 110.188 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.97 -29.13 66.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -80.53 -28.4 37.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.21 -30.01 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.546 -0.721 . . . . 0.0 109.989 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -90.31 48.91 1.61 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.312 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HG3' ' CD2' ' A' ' 15' ' ' HIS . 32.2 pttt -154.4 29.41 0.44 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.725 . . . . 0.0 110.259 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 72.0 m-70 -119.67 30.71 6.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.517 -0.739 . . . . 0.0 110.222 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -94.73 42.89 1.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.176 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -167.86 -41.03 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.575 -0.703 . . . . 0.0 110.176 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -62.87 -159.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.509 -0.745 . . . . 0.0 110.078 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -104.49 -28.68 11.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 0.0 110.316 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -83.57 104.71 13.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 110.247 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -79.97 118.53 21.8 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.572 -0.705 . . . . 0.0 110.457 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 6.7 m95 -95.33 73.5 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.521 -0.737 . . . . 0.0 109.911 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.2 t -87.35 160.05 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.546 -0.721 . . . . 0.0 110.042 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mt -121.2 144.9 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.548 -0.72 . . . . 0.0 109.897 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -113.43 -73.31 0.67 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.48 -0.763 . . . . 0.0 110.052 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -119.59 81.57 1.74 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.528 -0.732 . . . . 0.0 109.765 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 54.71 22.66 4.24 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.405 -0.809 . . . . 0.0 110.607 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 140.05 53.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.465 -0.772 . . . . 0.0 109.811 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.6 t -91.14 126.66 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.516 -0.74 . . . . 0.0 109.988 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -107.68 129.78 54.98 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.675 -0.64 . . . . 0.0 111.051 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -102.46 77.73 1.66 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 170.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -84.13 54.62 3.01 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.69 -0.632 . . . . 0.0 110.372 -174.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.7 p -63.74 -58.43 6.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.357 -0.839 . . . . 0.0 110.322 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -58.54 -20.12 43.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.586 -0.696 . . . . 0.0 110.847 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 2.4 t80 -71.8 -28.35 63.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.315 -0.866 . . . . 0.0 110.284 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.15 -27.37 66.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.643 -0.66 . . . . 0.0 110.273 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.27 -27.92 14.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.562 -0.711 . . . . 0.0 110.428 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.71 -28.25 33.54 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.507 -0.746 . . . . 0.0 110.357 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 48.3 m80 -122.54 96.71 45.48 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.551 -0.718 . . . . 0.0 110.305 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.97 102.48 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 123.38 1.2 . . . . 0.0 111.009 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.14 -94.29 0.12 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.83 -68.89 0.61 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.25 -28.21 69.0 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.989 . . . . 0.0 110.246 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.58 -54.3 4.35 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.673 . . . . 0.0 110.276 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.49 167.08 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.538 -0.726 . . . . 0.0 110.232 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.541 -0.724 . . . . 0.0 111.401 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.501 2.111 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' A' ' 35' ' ' PHE . 11.0 mt -90.13 -27.19 19.78 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.582 -0.699 . . . . 0.0 110.385 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 p -71.94 64.49 0.51 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.51 -57.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.518 -0.739 . . . . 0.0 110.182 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -79.78 -18.39 51.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.535 -0.728 . . . . 0.0 110.709 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -94.69 36.52 1.17 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.471 -0.768 . . . . 0.0 110.41 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 HD13 HG23 ' A' ' 75' ' ' ILE . 69.0 mt -112.5 165.71 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.487 -0.758 . . . . 0.0 110.027 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.7 pt -125.74 -35.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.534 -0.729 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.95 -161.14 25.61 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.87 -174.99 2.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.955 . . . . 0.0 110.083 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.3 tt -113.62 144.06 43.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.78 112.17 5.25 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.542 -0.724 . . . . 0.0 110.02 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.11 -24.67 20.66 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 O-C-N 123.119 1.063 . . . . 0.0 111.212 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.76 -28.34 68.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.56 -0.713 . . . . 0.0 110.215 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -93.96 -22.22 18.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.59 -0.694 . . . . 0.0 110.633 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -53.45 -63.18 1.23 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.35 -0.844 . . . . 0.0 110.479 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -69.43 -66.08 0.63 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.584 -0.697 . . . . 0.0 109.572 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -76.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.554 -0.716 . . . . 0.0 109.409 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 mm . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.568 -0.708 . . . . 0.0 109.108 176.075 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.095 0.474 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 82.3 t 53.79 102.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.49 -0.756 . . . . 0.0 110.649 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -154.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.784 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 81' ' ' PRO . 7.6 m-85 -128.35 90.11 3.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.421 ' CE2' HG13 ' A' ' 76' ' ' ILE . 41.2 m-85 -74.78 136.73 41.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.631 -0.668 . . . . 0.0 110.044 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.6 p -79.86 167.49 20.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.69 . . . . 0.0 110.224 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.6 -27.99 51.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.599 -0.688 . . . . 0.0 110.283 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 -28.6 56.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.518 -0.739 . . . . 0.0 110.267 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.43 -34.47 41.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.504 -0.748 . . . . 0.0 110.225 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -79.38 -29.18 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.49 -0.756 . . . . 0.0 109.951 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -90.85 20.02 5.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.506 -0.746 . . . . 0.0 110.976 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -136.32 49.1 2.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.333 -0.855 . . . . 0.0 110.25 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.2 m-70 -121.01 65.46 0.86 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.613 -0.679 . . . . 0.0 110.148 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 73.23 0.33 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.561 -0.712 . . . . 0.0 110.263 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -114.24 167.14 10.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.49 -0.756 . . . . 0.0 110.197 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 t -112.93 -32.93 6.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.572 -0.705 . . . . 0.0 110.236 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.59 19.22 10.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.593 -0.692 . . . . 0.0 110.737 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -152.78 152.9 32.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 t -147.16 125.96 12.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 0.0 110.334 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.4 m95 -94.08 82.07 4.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.609 -0.682 . . . . 0.0 110.113 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -79.63 167.78 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.602 -0.686 . . . . 0.0 109.671 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -137.23 137.66 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.776 . . . . 0.0 109.938 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -90.45 -60.56 1.89 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.601 -0.687 . . . . 0.0 109.703 176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -152.13 -45.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.657 -0.652 . . . . 0.0 109.506 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 11.9 t-160 -129.65 -41.74 1.33 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.719 -0.613 . . . . 0.0 110.216 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -71.53 137.87 48.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.53 -0.731 . . . . 0.0 110.561 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.7 132.58 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.73 -0.607 . . . . 0.0 109.506 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.423 ' CE2' HG12 ' A' ' 75' ' ' ILE . 19.4 m-85 -103.2 119.98 39.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.574 -0.704 . . . . 0.0 111.13 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' OD1' ' CD1' ' A' ' 22' ' ' TRP . 27.7 t0 -101.16 74.64 1.59 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.5 57.59 3.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.597 -0.689 . . . . 0.0 110.181 -175.255 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -68.31 -25.51 65.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.436 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -79.95 -28.16 39.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.42 ' CD2' HD11 ' A' ' 46' ' ' LEU . 88.0 t80 -79.94 -34.06 39.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.959 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.73 -32.55 69.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.548 -0.72 . . . . 0.0 110.245 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -96.04 25.08 5.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 0.0 110.359 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -118.18 -51.27 2.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.973 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -119.01 150.17 48.22 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.596 -0.69 . . . . 0.0 109.83 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.42 102.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.315 1.166 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.406 ' CA ' ' CG1' ' A' ' 45' ' ' VAL . . . -158.02 109.74 0.41 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.15 -49.13 74.52 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -171.03 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.435 -1.038 . . . . 0.0 110.789 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.06 72.15 1.66 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.35 -0.844 . . . . 0.0 111.065 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' CG1' ' CA ' ' A' ' 41' ' ' GLY . 26.9 m -114.37 -26.77 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.38 -0.825 . . . . 0.0 110.638 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 110.028 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.024 0.44 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 35' ' ' PHE . 1.4 pt? -90.23 16.58 8.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 111.01 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -85.76 55.54 3.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.281 -0.887 . . . . 0.0 110.154 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -143.64 -44.81 0.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.8 p -96.37 26.49 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.565 -0.71 . . . . 0.0 110.318 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -128.4 28.37 5.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.442 -0.786 . . . . 0.0 110.132 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 30' ' ' TYR . 66.1 mt -114.8 161.01 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.464 -0.773 . . . . 0.0 110.235 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 7' ' ' TYR . 35.8 pt -124.17 -33.66 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.584 -0.697 . . . . 0.0 111.094 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.47 -157.99 22.22 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -115.78 177.99 4.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.514 -0.992 . . . . 0.0 110.207 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -93.33 170.32 9.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -79.4 127.8 77.43 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.581 -0.699 . . . . 0.0 110.181 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HD3' ' CE1' ' A' ' 6' ' ' TYR . 50.6 Cg_exo -53.48 -23.51 25.02 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.109 1.057 . . . . 0.0 111.256 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.12 -60.04 4.19 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.414 -0.804 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.89 -35.95 37.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.437 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.442 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 7.5 ttt-85 -61.14 -41.78 97.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.644 -0.66 . . . . 0.0 110.212 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -89.97 -27.19 19.95 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.583 -0.698 . . . . 0.0 110.325 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.6 tttm 53.65 77.33 0.18 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.334 -0.854 . . . . 0.0 110.693 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.631 -0.668 . . . . 0.0 110.178 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.113 0.482 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 72.3 t 53.66 102.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 110.682 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 7' ' ' TYR . 16.2 ttpp -83.44 149.86 26.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -79.89 87.75 5.32 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.327 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' CE1' ' HE3' ' A' ' 5' ' ' LYS . 31.3 m-85 -61.63 -168.32 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.637 . . . . 0.0 110.014 177.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.8 p -118.8 155.9 30.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.525 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.56 -25.33 57.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.713 -0.617 . . . . 0.0 110.596 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.27 -23.66 43.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.451 -0.781 . . . . 0.0 110.774 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -86.15 -26.89 24.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.609 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -74.62 -54.69 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.453 -0.779 . . . . 0.0 110.226 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -90.01 48.66 1.6 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.503 -0.748 . . . . 0.0 110.653 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -164.95 55.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.536 -0.728 . . . . 0.0 110.234 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -101.72 119.2 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.593 -0.692 . . . . 0.0 110.243 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -107.15 28.76 7.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.606 -0.684 . . . . 0.0 110.337 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -95.37 -27.23 15.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.694 . . . . 0.0 110.351 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.9 t 53.37 27.31 6.16 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.343 -0.848 . . . . 0.0 110.709 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -116.93 -37.37 3.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.531 -0.73 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -111.16 -175.54 2.73 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.171 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -140.24 122.77 16.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.518 -0.739 . . . . 0.0 110.291 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -100.47 77.68 1.95 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.548 -0.72 . . . . 0.0 110.09 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.7 t -85.0 151.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.571 -0.705 . . . . 0.0 110.014 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.13 137.29 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm? -109.05 -74.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.509 -0.744 . . . . 0.0 110.034 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 13.2 p80 -122.38 82.88 2.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 109.792 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 55.07 22.42 4.48 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.33 -0.856 . . . . 0.0 110.549 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -122.4 134.18 54.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.474 -0.766 . . . . 0.0 109.793 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.46 128.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.594 -0.691 . . . . 0.0 109.768 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.431 ' CE1' HG12 ' A' ' 75' ' ' ILE . 14.7 m-30 -107.2 137.1 45.89 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.518 -0.739 . . . . 0.0 110.673 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -105.25 77.85 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.34 45.2 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.642 -0.661 . . . . 0.0 110.147 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -67.84 -26.65 66.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.464 -0.773 . . . . 0.0 110.395 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.13 -28.9 38.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.006 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.411 ' CD1' HD21 ' A' ' 70' ' ' LEU . 81.1 t80 -72.62 -29.62 63.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.649 -0.657 . . . . 0.0 109.977 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -29.27 69.88 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.42 -27.75 19.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.594 -0.691 . . . . 0.0 110.325 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.95 -31.13 39.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 110.147 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -112.36 94.74 28.17 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.139 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.95 91.36 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 O-C-N 123.428 1.225 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.29 -42.99 0.37 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.96 -53.93 0.78 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -164.01 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.605 -0.938 . . . . 0.0 110.031 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -84.13 92.81 8.0 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.601 -0.687 . . . . 0.0 110.16 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.7 m -104.69 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 110.512 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.461 -0.774 . . . . 0.0 110.147 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.501 2.12 0 CA-C-O 121.056 0.455 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -90.11 54.26 2.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.52 -0.737 . . . . 0.0 110.327 177.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.9 p -99.33 -26.76 14.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.593 -0.692 . . . . 0.0 110.303 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -81.83 -22.81 36.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 110.858 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -93.04 -23.05 18.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.935 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -99.48 51.39 0.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.428 -0.795 . . . . 0.0 110.411 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.431 HG12 ' CE1' ' A' ' 30' ' ' TYR . 49.9 mt -116.05 166.85 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.507 -0.745 . . . . 0.0 110.362 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 77' ' ' GLY . 28.8 pt -130.6 -36.96 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.622 -0.674 . . . . 0.0 110.919 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.404 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.16 -152.19 9.71 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -125.23 -174.7 3.12 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.504 -0.998 . . . . 0.0 110.426 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 tt -103.5 158.14 16.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.633 -0.667 . . . . 0.0 110.123 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -78.55 114.24 41.51 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.598 -0.688 . . . . 0.0 110.162 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.81 -24.11 22.77 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 O-C-N 123.171 1.09 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.71 -25.57 63.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.548 -0.72 . . . . 0.0 110.638 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -108.24 -28.51 9.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 110.266 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -65.52 0.68 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.857 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -71.26 -150.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.6 -0.687 . . . . 0.0 109.324 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -79.59 0.46 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.925 . . . . 0.0 109.529 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.7 mm . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.475 -0.766 . . . . 0.0 109.86 177.202 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 121.097 0.475 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.9 t -83.89 139.89 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.079 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 7' ' ' TYR . 14.9 ptmt -116.53 -161.92 0.82 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.695 -0.628 . . . . 0.0 109.735 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD1' ' HD3' ' A' ' 81' ' ' PRO . 21.9 m-85 -122.34 86.91 2.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.509 -0.745 . . . . 0.0 110.337 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.42 ' CZ ' ' HD3' ' A' ' 5' ' ' LYS . 33.8 m-85 -61.63 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.612 -0.68 . . . . 0.0 110.128 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -119.16 159.68 23.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.568 -0.707 . . . . 0.0 110.27 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.76 -27.12 36.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.528 -0.732 . . . . 0.0 110.424 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.79 -27.99 61.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.505 -0.747 . . . . 0.0 110.292 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -81.57 -41.48 21.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.564 -0.71 . . . . 0.0 110.397 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 59.9 mt -64.96 -26.27 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.559 -0.713 . . . . 0.0 110.132 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.07 23.44 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.461 -0.774 . . . . 0.0 111.011 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -166.81 73.59 0.14 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 110.264 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 28.1 m-70 -110.94 140.28 45.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.516 -0.74 . . . . 0.0 110.256 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -148.38 75.55 1.33 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.556 -0.715 . . . . 0.0 110.092 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -117.43 -144.07 0.38 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.479 -0.763 . . . . 0.0 110.147 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -71.34 63.54 0.37 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.296 -0.878 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 52.41 22.83 2.22 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.244 -0.91 . . . . 0.0 111.484 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t -63.93 178.58 0.62 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.437 -0.789 . . . . 0.0 110.116 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -140.82 119.75 12.68 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.519 -0.738 . . . . 0.0 110.299 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.5 m95 -93.65 84.59 4.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.499 -0.75 . . . . 0.0 110.078 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.52 167.6 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.579 -0.701 . . . . 0.0 109.416 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.7 137.25 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.519 -0.738 . . . . 0.0 110.377 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -101.01 -152.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.698 -0.626 . . . . 0.0 109.358 176.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.21 -23.47 8.67 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.321 -0.862 . . . . 0.0 110.897 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 22.2 t-160 -168.21 -38.87 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.803 . . . . 0.0 110.796 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -66.14 144.16 56.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.726 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.4 t -95.02 140.06 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.504 -0.747 . . . . 0.0 109.529 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 10.1 m-85 -112.42 124.63 52.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.0 111.193 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.406 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 20.5 t70 -104.05 78.89 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.09 53.55 2.78 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.687 -0.633 . . . . 0.0 110.493 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.9 t -69.79 -24.88 63.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.378 -0.826 . . . . 0.0 110.435 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -81.16 -25.87 36.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.422 -0.798 . . . . 0.0 110.468 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 35.6 t80 -88.73 -32.21 18.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.269 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.61 -26.22 66.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.6 -0.688 . . . . 0.0 110.406 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.34 -22.99 14.89 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.449 -0.782 . . . . 0.0 110.701 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -79.71 -28.02 40.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.355 -0.84 . . . . 0.0 110.291 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 51.1 m80 -127.31 82.28 68.49 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.523 -0.736 . . . . 0.0 110.232 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.03 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.36 0 O-C-N 123.369 1.194 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.5 -34.32 2.11 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.84 78.69 0.25 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 55.81 -86.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.699 -0.883 . . . . 0.0 110.903 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 73.42 0.33 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.132 -0.98 . . . . 0.0 110.315 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.43 -20.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.54 -0.725 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.344 -0.848 . . . . 0.0 110.404 178.462 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.126 0.488 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -83.78 -25.61 30.31 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.549 -0.719 . . . . 0.0 110.388 177.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -71.62 66.25 0.51 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.507 -0.746 . . . . 0.0 110.182 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -159.61 -49.3 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 110.204 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -96.68 26.31 4.58 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.52 -0.737 . . . . 0.0 110.379 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -133.36 33.62 3.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.417 -0.802 . . . . 0.0 110.02 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' A' ' 30' ' ' TYR . 54.2 mt -112.46 158.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.575 -0.703 . . . . 0.0 109.949 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 38.7 pt -120.48 -32.52 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.547 -0.72 . . . . 0.0 110.9 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.3 11.66 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -124.22 178.88 5.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.512 -0.993 . . . . 0.0 110.047 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 tt -98.54 152.03 20.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.569 -0.707 . . . . 0.0 110.126 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.21 124.06 75.91 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.668 -0.645 . . . . 0.0 110.317 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 50.0 Cg_exo -53.16 -23.73 23.62 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 O-C-N 123.04 1.021 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.31 -39.62 79.85 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.441 -0.787 . . . . 0.0 110.482 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.33 -25.98 16.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.552 -0.718 . . . . 0.0 110.338 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 5.8 tpm_? -86.82 -67.06 0.84 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.266 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -90.17 -169.68 2.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 37.19 52.37 1.15 Allowed 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.1 mm . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.972 177.234 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.07 0.462 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.27 144.81 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.554 -0.716 . . . . 0.0 110.126 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -114.24 145.59 41.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.686 -0.634 . . . . 0.0 109.656 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -79.84 85.78 5.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.497 -0.752 . . . . 0.0 110.211 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.428 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 29.6 m-85 -61.92 -164.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.623 -0.673 . . . . 0.0 110.044 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -135.42 -177.03 4.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.491 -0.755 . . . . 0.0 110.339 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -84.94 -49.14 8.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.621 -0.674 . . . . 0.0 110.282 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -26.96 66.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.627 -0.67 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.83 -43.79 29.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.513 -0.742 . . . . 0.0 110.407 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -79.25 -23.05 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.542 -0.724 . . . . 0.0 110.413 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.53 19.6 5.19 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.345 -0.847 . . . . 0.0 111.015 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -122.94 28.42 7.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.304 -0.873 . . . . 0.0 110.158 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.64 97.79 7.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.558 -0.714 . . . . 0.0 110.175 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -74.23 -29.33 61.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.556 -0.715 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -167.85 -64.35 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.64 -0.662 . . . . 0.0 110.179 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p 49.97 26.46 2.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.521 -0.737 . . . . 0.0 111.118 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.41 -67.1 0.16 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.54 -0.725 . . . . 0.0 110.711 178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 p -60.54 -171.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.371 -0.83 . . . . 0.0 110.328 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -144.95 124.29 13.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.64 -0.663 . . . . 0.0 110.379 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -98.86 75.91 2.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 110.225 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.57 133.35 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.471 -0.768 . . . . 0.0 109.943 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.41 137.9 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.532 -0.73 . . . . 0.0 109.837 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -91.15 -77.37 0.42 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.624 -0.673 . . . . 0.0 109.894 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -128.84 -41.46 1.47 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.768 . . . . 0.0 110.1 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.414 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 23.4 t-160 -150.22 22.17 0.85 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 176.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -126.37 144.21 50.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.811 . . . . 0.0 110.304 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -100.36 119.59 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.61 -0.681 . . . . 0.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.42 ' CE1' HD22 ' A' ' 25' ' ' LEU . 25.9 m-85 -100.51 130.39 46.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 110.982 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -102.82 78.98 1.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 170.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -90.58 46.08 1.31 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.642 -0.662 . . . . 0.0 110.488 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -69.16 -24.54 64.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.486 -0.759 . . . . 0.0 110.406 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -81.92 -27.86 33.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.124 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CD1' HD12 ' A' ' 46' ' ' LEU . 26.8 t80 -76.38 -29.78 57.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.49 -0.756 . . . . 0.0 109.887 177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.26 -30.74 70.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.594 -0.691 . . . . 0.0 110.168 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -111.6 25.29 11.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.564 -0.71 . . . . 0.0 110.613 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.29 -40.96 5.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.539 -0.726 . . . . 0.0 110.11 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -120.67 81.82 33.25 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.572 -0.705 . . . . 0.0 110.169 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.74 92.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.376 1.198 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.14 40.91 0.05 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.01 125.86 2.52 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.03 -29.09 14.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.99 . . . . 0.0 110.275 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -100.2 54.08 0.9 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.58 -0.7 . . . . 0.0 110.323 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.62 24.59 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.506 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.439 -0.788 . . . . 0.0 109.883 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.992 0.425 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.14 49.55 1.64 Allowed 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.481 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 p -96.42 27.74 3.64 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.515 -0.741 . . . . 0.0 110.264 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -120.77 -42.86 2.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 110.077 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.0 p -97.41 28.03 3.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.509 -0.745 . . . . 0.0 110.204 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.22 28.4 2.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.564 -0.71 . . . . 0.0 110.099 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.432 HG23 HD11 ' A' ' 75' ' ' ILE . 76.1 mt -116.65 158.58 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.49 -0.756 . . . . 0.0 110.408 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.14 -24.83 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.681 -0.637 . . . . 0.0 110.829 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 7' ' ' TYR . . . 177.0 -152.73 12.53 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -133.19 -171.01 2.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.967 . . . . 0.0 110.206 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.8 tp -106.55 159.11 16.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.703 . . . . 0.0 110.038 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.44 119.25 76.52 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.537 -0.727 . . . . 0.0 110.032 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.97 -23.76 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 O-C-N 123.076 1.04 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.71 -53.35 59.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.396 -0.815 . . . . 0.0 110.653 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -80.64 -39.27 27.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 5.1 ttt-85 -61.37 -44.61 96.87 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.589 -0.694 . . . . 0.0 110.248 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -89.43 -156.35 0.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.537 -0.727 . . . . 0.0 110.221 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.94 76.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.557 -0.714 . . . . 0.0 110.104 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.5 mp . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.576 -0.703 . . . . 0.0 109.934 178.752 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.03 0.443 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.6 t -150.03 123.6 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.611 -0.681 . . . . 0.0 110.023 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -116.3 155.02 29.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.616 -0.678 . . . . 0.0 109.845 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.96 93.26 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.526 -0.734 . . . . 0.0 110.433 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -69.96 -168.9 0.23 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.701 -0.624 . . . . 0.0 109.906 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.7 p -126.23 154.1 43.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.718 . . . . 0.0 110.347 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -67.53 -27.32 66.87 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -73.71 -26.8 60.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.516 -0.74 . . . . 0.0 110.567 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.78 -27.63 33.65 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.484 -0.76 . . . . 0.0 110.477 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.47 -25.61 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.598 -0.688 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.29 48.32 1.54 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -169.42 52.34 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.51 -0.743 . . . . 0.0 110.31 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.488 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 31.7 m-70 -122.43 102.44 8.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.616 -0.678 . . . . 0.0 110.281 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -168.85 53.73 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.504 -0.747 . . . . 0.0 110.19 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -136.56 -44.3 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.555 -0.715 . . . . 0.0 110.321 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -96.94 30.85 2.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.342 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt 54.08 22.2 3.37 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 111.113 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -89.57 170.4 10.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.442 -0.787 . . . . 0.0 110.104 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -144.28 117.96 9.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.539 -0.725 . . . . 0.0 110.408 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 4.7 m0 -92.03 81.4 5.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.564 -0.71 . . . . 0.0 110.103 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.7 168.65 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.567 -0.708 . . . . 0.0 109.454 177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.8 136.22 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.392 -0.817 . . . . 0.0 110.562 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 4.6 mm? -110.43 77.56 1.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 14.5 m-70 55.84 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.529 -0.732 . . . . 0.0 110.098 -177.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 67.88 -62.59 0.34 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.659 -0.65 . . . . 0.0 110.938 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -57.14 136.86 56.41 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.326 -0.859 . . . . 0.0 110.888 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -105.81 148.34 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.486 -0.759 . . . . 0.0 109.832 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.4 m-85 -120.75 136.79 54.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.639 -0.663 . . . . 0.0 111.448 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -106.33 91.01 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.04 14.13 8.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.604 -0.685 . . . . 0.0 111.472 -173.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.4 t -60.72 -27.16 67.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.169 -0.957 . . . . 0.0 109.988 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' CD ' ' CD2' ' A' ' 74' ' ' TYR . 14.0 ptpt -84.17 -23.98 30.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 110.138 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 39' ' ' HIS . 22.4 t80 -81.76 -33.49 30.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.396 -0.815 . . . . 0.0 109.902 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.57 -27.36 64.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.326 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.26 -19.96 19.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.585 -0.697 . . . . 0.0 110.665 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -79.73 -48.5 13.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.381 -0.824 . . . . 0.0 110.339 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 29.1 m80 -115.61 84.75 12.8 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.537 -0.727 . . . . 0.0 110.197 178.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 91.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.392 1.207 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.56 -64.61 0.35 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.88 32.5 84.09 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.27 -74.06 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.607 -0.937 . . . . 0.0 110.343 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -100.11 88.33 3.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 0.0 110.519 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 p -167.82 132.44 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.555 -0.715 . . . . 0.0 110.05 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 N--CA 1.499 2.014 0 O-C-N 121.592 -0.692 . . . . 0.0 111.504 176.832 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.08 0.467 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 74' ' ' TYR . 2.1 tt -81.97 -26.22 34.12 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.302 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 p -71.73 64.93 0.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 110.155 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -54.98 0.09 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.542 -0.724 . . . . 0.0 109.875 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.6 p -79.55 -14.28 58.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.538 -0.726 . . . . 0.0 110.799 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD2' ' CD ' ' A' ' 34' ' ' LYS . 12.1 m-85 -93.6 22.88 5.03 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.427 HG12 ' CZ ' ' A' ' 30' ' ' TYR . 51.7 mt -107.65 153.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.298 -0.877 . . . . 0.0 109.798 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.3 pt -108.44 -25.99 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.538 -0.726 . . . . 0.0 110.779 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.18 -159.56 32.71 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.45 -179.04 3.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.933 . . . . 0.0 110.132 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 tt -106.65 152.31 23.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.553 -0.717 . . . . 0.0 110.149 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.65 111.57 4.29 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.54 -0.725 . . . . 0.0 110.104 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.25 -23.78 24.44 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 O-C-N 123.131 1.069 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -26.53 63.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.413 -0.805 . . . . 0.0 110.626 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.1 -25.09 9.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.457 -0.777 . . . . 0.0 110.554 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -58.62 -46.1 87.78 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.351 -0.843 . . . . 0.0 110.3 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -90.1 -155.06 0.35 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.566 -0.709 . . . . 0.0 110.044 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -118.15 63.13 0.76 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.45 -0.781 . . . . 0.0 109.831 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.592 -0.693 . . . . 0.0 110.318 179.599 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.145 0.497 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.75 128.68 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.494 -0.754 . . . . 0.0 110.187 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.423 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 11.2 ptpt -112.65 -157.45 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.729 -0.607 . . . . 0.0 109.435 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -120.94 91.39 3.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 0.0 110.344 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.423 ' CE1' ' HD2' ' A' ' 5' ' ' LYS . 27.7 m-85 -61.16 171.7 1.25 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 109.957 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.3 p -110.03 146.51 35.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.54 -0.725 . . . . 0.0 110.009 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.02 -22.92 17.23 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.466 -0.772 . . . . 0.0 110.872 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -85.46 -27.29 25.78 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.415 -0.803 . . . . 0.0 110.445 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.4 -31.1 26.86 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.475 -0.766 . . . . 0.0 110.223 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 12' ' ' ILE . 50.8 mm -77.11 -28.73 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 109.896 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -90.28 48.76 1.6 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -163.59 63.95 0.17 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.478 -0.764 . . . . 0.0 110.452 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.5 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 22.8 m-70 -145.26 152.84 40.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.54 -0.725 . . . . 0.0 110.252 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.64 143.84 53.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.55 -27.34 8.62 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.421 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -70.49 -39.45 74.18 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.514 -0.741 . . . . 0.0 110.259 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -84.82 -50.27 7.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.552 -0.717 . . . . 0.0 110.25 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -121.48 -170.52 2.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.628 -0.67 . . . . 0.0 110.151 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -154.44 121.22 5.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.493 -0.755 . . . . 0.0 110.349 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.5 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 7.5 m0 -101.52 73.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.584 -0.698 . . . . 0.0 110.075 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.73 138.14 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.604 -0.685 . . . . 0.0 109.834 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -98.98 137.55 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.58 -0.7 . . . . 0.0 109.88 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.407 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 2.1 tp -145.95 123.84 12.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.63 -0.669 . . . . 0.0 109.774 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 53.61 57.62 5.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 14.2 t-160 55.42 21.24 4.14 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.403 -0.81 . . . . 0.0 111.098 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -122.01 149.98 42.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.071 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.09 126.58 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.499 -0.751 . . . . 0.0 109.654 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -102.88 131.54 49.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.546 -0.721 . . . . 0.0 111.051 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 28.0 t70 -105.28 78.4 1.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 170.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.58 49.43 1.79 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.57 -0.706 . . . . 0.0 110.499 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -68.26 -42.11 80.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.382 -0.824 . . . . 0.0 109.949 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.83 -28.66 69.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.574 -0.704 . . . . 0.0 110.015 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 53.8 t80 -81.02 -30.22 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.497 -0.752 . . . . 0.0 109.864 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.01 -38.57 86.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.667 -0.646 . . . . 0.0 110.093 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.17 -23.99 28.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.669 -0.644 . . . . 0.0 110.552 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.62 -28.96 40.94 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.463 -0.773 . . . . 0.0 110.188 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.453 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 7.8 m80 -122.41 86.68 48.45 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.061 177.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.53 92.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 O-C-N 123.38 1.2 . . . . 0.0 111.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.78 -45.81 0.69 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -116.37 1.34 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.33 -155.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.496 -1.002 . . . . 0.0 109.912 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -59.97 103.61 0.23 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.404 -0.81 . . . . 0.0 110.168 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.415 HG22 ' CE2' ' A' ' 35' ' ' PHE . 35.3 m -64.81 -126.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.668 -0.645 . . . . 0.0 110.338 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.501 2.096 0 O-C-N 120.444 -1.41 . . . . 0.0 110.771 179.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.067 0.46 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 6.2 tp -89.99 -28.56 19.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.542 -0.724 . . . . 0.0 110.235 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -74.44 73.26 1.89 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.525 -0.735 . . . . 0.0 110.105 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -169.1 -40.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.583 -0.698 . . . . 0.0 110.279 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.4 p -97.29 -23.03 16.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.544 -0.723 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 79.1 m-85 -90.3 48.9 1.61 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.362 -0.836 . . . . 0.0 110.341 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.417 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.1 mt -117.06 166.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.453 -0.78 . . . . 0.0 110.101 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.402 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 29.2 pt -127.65 -36.3 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 7' ' ' TYR . . . -175.9 -154.58 11.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 29.3 mt-10 -126.17 -179.5 4.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.596 -0.944 . . . . 0.0 110.329 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.74 167.17 9.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.209 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.2 116.27 60.34 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 121.582 -0.699 . . . . 0.0 110.11 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -52.9 -24.12 23.25 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.137 1.072 . . . . 0.0 111.242 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.21 -49.62 77.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.4 -34.71 36.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.543 -0.723 . . . . 0.0 110.307 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 4.4 ttt-85 -60.22 -60.84 3.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.517 -0.74 . . . . 0.0 110.069 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -63.67 -151.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.713 -0.617 . . . . 0.0 109.661 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.17 -101.19 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.228 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.9 mm . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.74 -1.225 . . . . 0.0 109.913 176.237 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.068 0.461 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 82.3 t -133.61 144.05 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.531 -0.73 . . . . 0.0 110.136 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -117.99 144.89 45.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.655 . . . . 0.0 109.746 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 82.13 5.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.44 -167.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.135 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.9 p -119.36 155.52 31.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.508 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 tp -70.19 -28.9 65.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.658 -0.651 . . . . 0.0 110.185 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.58 -28.19 64.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 110.16 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.1 -41.89 73.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.582 -0.699 . . . . 0.0 110.173 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.27 -41.4 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.551 -0.718 . . . . 0.0 109.936 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.28 49.06 1.64 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.575 -0.703 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -167.37 49.01 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.571 -0.705 . . . . 0.0 110.248 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.3 m-70 -124.6 28.71 6.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.567 -0.708 . . . . 0.0 110.269 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -27.97 69.21 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.623 -0.673 . . . . 0.0 110.353 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.72 -29.11 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.243 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -81.52 145.2 30.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.478 -0.764 . . . . 0.0 110.231 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -93.47 19.24 8.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.614 -0.679 . . . . 0.0 110.752 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.67 118.98 32.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.43 -0.794 . . . . 0.0 110.189 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -73.32 116.06 13.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.532 -0.73 . . . . 0.0 110.397 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.485 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 7.2 m95 -103.4 74.33 1.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.521 -0.737 . . . . 0.0 110.13 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.28 119.67 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.589 -0.694 . . . . 0.0 110.027 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 HD12 HG23 ' A' ' 24' ' ' ILE . 46.8 mm -79.57 137.5 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.631 -0.668 . . . . 0.0 110.118 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -150.49 122.33 8.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.599 -0.688 . . . . 0.0 109.881 177.5 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 52.97 57.72 6.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.42 -0.8 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 53.65 23.65 3.75 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.396 -0.815 . . . . 0.0 110.893 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 3.3 ttpt -121.62 149.25 43.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.504 -0.747 . . . . 0.0 110.256 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.3 124.37 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.566 -0.709 . . . . 0.0 109.752 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' CE2' HG12 ' A' ' 75' ' ' ILE . 61.6 m-85 -105.16 130.25 53.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.558 -0.714 . . . . 0.0 111.066 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -105.89 79.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -92.27 44.37 1.16 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.581 -0.7 . . . . 0.0 110.35 -174.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -69.79 -23.94 63.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.508 -0.745 . . . . 0.0 110.34 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -28.36 41.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.438 -0.788 . . . . 0.0 110.166 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 39' ' ' HIS . 21.9 t80 -73.23 -29.22 62.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.521 -0.737 . . . . 0.0 110.036 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -29.71 69.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.597 -0.689 . . . . 0.0 110.045 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -101.11 -20.15 15.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 110.742 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -79.6 -24.22 42.15 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.362 -0.836 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 74.3 m80 -125.11 73.31 65.98 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.409 -0.807 . . . . 0.0 110.35 177.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.24 -23.96 24.96 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 O-C-N 123.281 1.148 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.47 69.03 0.92 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.89 -31.23 2.74 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 56.56 -85.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.654 -0.91 . . . . 0.0 110.642 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.68 57.83 3.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.091 -1.006 . . . . 0.0 110.061 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.01 -40.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.549 -0.719 . . . . 0.0 110.073 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 16.2 mt . . . . . 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.412 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.73 20.14 4.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.544 -0.722 . . . . 0.0 110.942 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.0 p -77.21 73.9 3.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 110.221 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -168.51 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 110.253 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -99.99 -27.28 13.65 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.557 -0.715 . . . . 0.0 110.481 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -90.7 48.8 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.298 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.9 mt -113.65 166.9 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.49 -0.756 . . . . 0.0 109.92 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.2 pt -125.81 -34.45 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.478 -0.764 . . . . 0.0 111.062 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.45 -152.94 11.51 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.52 -170.88 2.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 110.129 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tt -109.44 148.6 30.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.718 . . . . 0.0 110.161 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.95 117.42 25.48 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.59 -0.694 . . . . 0.0 109.991 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.7 -23.95 21.68 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 O-C-N 123.092 1.048 . . . . 0.0 111.246 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.94 -43.94 73.83 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.397 -0.814 . . . . 0.0 110.741 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.82 -28.97 40.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.561 -0.712 . . . . 0.0 109.818 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -157.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.582 -0.699 . . . . 0.0 109.879 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -90.2 100.21 13.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.492 -0.755 . . . . 0.0 110.42 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.97 22.04 2.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.6 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.381 -0.825 . . . . 0.0 110.236 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.166 0.507 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 72.9 t 54.18 105.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.424 -0.797 . . . . 0.0 110.667 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.85 147.98 31.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.49 -0.756 . . . . 0.0 109.607 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 96.57 6.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.422 -0.799 . . . . 0.0 110.518 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.31 -167.35 1.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 109.912 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -132.59 177.24 7.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.53 -0.731 . . . . 0.0 110.351 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.87 -28.23 30.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.7 -0.625 . . . . 0.0 110.252 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.09 -28.29 43.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.612 -0.68 . . . . 0.0 110.219 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.56 -34.94 53.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.602 -0.687 . . . . 0.0 110.247 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.4 mt -79.03 -29.35 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.574 -0.704 . . . . 0.0 109.975 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.26 49.11 1.64 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.544 -0.723 . . . . 0.0 110.306 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -149.27 32.2 0.74 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.739 . . . . 0.0 110.233 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -128.26 92.39 3.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.575 -0.703 . . . . 0.0 110.225 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -122.26 47.48 1.91 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.671 -0.643 . . . . 0.0 110.2 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.32 168.0 9.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.507 -0.746 . . . . 0.0 110.167 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 45.94 1.17 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.591 -0.693 . . . . 0.0 110.197 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -125.25 -42.25 2.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.592 -0.693 . . . . 0.0 110.193 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -147.79 169.49 19.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.593 -0.692 . . . . 0.0 110.206 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -136.5 134.48 37.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.504 -0.748 . . . . 0.0 110.19 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.422 ' CZ2' ' CD1' ' A' ' 76' ' ' ILE . 4.7 m0 -99.4 86.79 3.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.586 -0.696 . . . . 0.0 110.252 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.4 t -79.41 136.62 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.456 -0.777 . . . . 0.0 109.296 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.96 134.92 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.58 -0.7 . . . . 0.0 109.913 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 3.9 mp -105.14 71.47 0.95 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.91 26.8 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CD2' ' HD2' ' A' ' 84' ' ' ARG . 10.5 t-160 -179.92 -61.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 173.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -76.92 151.69 35.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.746 -0.596 . . . . 0.0 111.119 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.413 HG12 ' CZ3' ' A' ' 22' ' ' TRP . 46.3 t -109.85 119.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 22.8 m-85 -99.28 119.73 38.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.474 -0.766 . . . . 0.0 111.264 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -96.35 81.95 3.35 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.95 45.59 1.29 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.556 -0.715 . . . . 0.0 110.831 -173.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -72.05 -26.52 62.22 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.371 -0.83 . . . . 0.0 110.213 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 15.6 ttmt -82.23 -21.02 36.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CZ ' ' CG ' ' A' ' 39' ' ' HIS . 68.9 t80 -85.89 -27.9 24.71 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.399 -0.813 . . . . 0.0 110.202 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -46.86 89.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -24.31 63.09 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.724 . . . . 0.0 110.502 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.72 -67.89 0.72 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.441 -0.787 . . . . 0.0 110.104 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 18.6 m80 -79.82 172.24 10.38 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 109.903 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.54 -32.02 51.63 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 O-C-N 123.263 1.138 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.5 66.94 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 63.94 2.04 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 56.69 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.67 -0.9 . . . . 0.0 110.85 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.54 46.97 1.38 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.187 -0.945 . . . . 0.0 110.422 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.58 -33.42 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.444 -0.785 . . . . 0.0 110.269 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.336 -0.853 . . . . 0.0 110.312 176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.087 0.47 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 11.2 tp -90.85 42.54 1.11 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.707 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p -100.39 70.89 1.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -168.52 -40.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.537 -0.727 . . . . 0.0 110.189 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.402 ' OG1' ' CE2' ' A' ' 74' ' ' TYR . 73.8 p -96.96 30.38 2.73 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.494 -0.754 . . . . 0.0 110.371 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.453 ' CE2' ' CD2' ' A' ' 70' ' ' LEU . 92.3 m-85 -152.01 29.17 0.58 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.432 -0.792 . . . . 0.0 110.207 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 75' ' ' ILE . 71.2 mt -102.43 164.8 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.521 -0.737 . . . . 0.0 109.716 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.422 ' CD1' ' CZ2' ' A' ' 22' ' ' TRP . 40.4 pt -121.6 -32.74 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.99 -153.26 10.62 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -132.2 -169.06 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.599 -0.942 . . . . 0.0 110.582 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -96.16 162.16 13.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.664 -0.647 . . . . 0.0 110.466 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 81' ' ' PRO . 28.9 t-80 -85.82 147.01 44.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.554 -0.716 . . . . 0.0 110.069 176.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 50.4 Cg_exo -53.72 -22.27 22.43 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 O-C-N 123.421 1.222 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.32 -61.43 2.49 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.308 -0.87 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.92 -21.73 29.54 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.463 -0.773 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.409 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 5.5 mtp180 -54.51 -59.78 4.23 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.284 -0.885 . . . . 0.0 110.535 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -90.03 -74.61 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.627 -0.671 . . . . 0.0 110.163 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.94 -76.12 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.491 -0.755 . . . . 0.0 109.771 177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.7 mm . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.569 -0.707 . . . . 0.0 109.925 177.572 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.003 0.43 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -78.36 134.13 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.543 -0.723 . . . . 0.0 110.066 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -110.1 148.4 31.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.627 -0.671 . . . . 0.0 109.531 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -79.72 80.68 6.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.437 -0.79 . . . . 0.0 110.228 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -61.33 141.85 57.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.629 -0.669 . . . . 0.0 110.006 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -84.91 157.28 20.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.611 -0.681 . . . . 0.0 110.406 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.44 -26.84 65.53 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.576 -0.703 . . . . 0.0 110.434 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.75 -26.98 50.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.508 -0.745 . . . . 0.0 110.394 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -29.28 49.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.557 -0.715 . . . . 0.0 110.225 178.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.3 mm -77.1 -37.08 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.553 -0.717 . . . . 0.0 109.955 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.31 49.06 1.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.591 -0.693 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.28 37.87 3.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.463 -0.773 . . . . 0.0 110.308 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 65.2 m-70 -115.47 108.22 16.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.587 -0.695 . . . . 0.0 110.121 177.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -44.04 0.19 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.646 -0.659 . . . . 0.0 110.323 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -79.75 -68.08 0.7 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.541 -0.725 . . . . 0.0 110.267 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -61.26 161.41 9.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.522 -0.736 . . . . 0.0 110.077 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.07 136.37 43.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 110.15 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -171.88 -159.12 0.14 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.598 -0.689 . . . . 0.0 109.873 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -159.44 82.54 0.76 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 7.7 m95 -83.61 83.03 8.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.568 -0.707 . . . . 0.0 110.245 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.7 t -84.56 142.24 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.13 137.21 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.43 HD23 ' CZ ' ' A' ' 30' ' ' TYR . 8.4 mp -103.58 -75.65 0.61 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.525 -0.735 . . . . 0.0 110.625 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -120.64 -41.65 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' HG3' ' A' ' 81' ' ' PRO . 6.5 t-160 -159.02 25.83 0.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.571 -0.706 . . . . 0.0 110.262 175.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -126.85 143.11 51.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.472 -0.767 . . . . 0.0 110.25 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.409 HG12 ' CE3' ' A' ' 22' ' ' TRP . 47.5 t -99.76 118.67 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.688 -0.633 . . . . 0.0 109.515 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.43 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 28.3 m-85 -95.55 122.62 38.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.487 -0.758 . . . . 0.0 111.133 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -100.95 83.8 2.58 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -95.8 29.4 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.619 -0.676 . . . . 0.0 110.315 -174.54 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -60.21 -28.69 68.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.407 -0.808 . . . . 0.0 110.259 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.12 -40.04 47.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.502 -0.748 . . . . 0.0 109.847 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE2' ' NE2' ' A' ' 39' ' ' HIS . 29.1 t80 -64.5 -37.99 89.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.646 -0.659 . . . . 0.0 109.764 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.23 -31.86 71.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.652 -0.655 . . . . 0.0 110.125 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -91.4 -24.98 19.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.649 -0.657 . . . . 0.0 110.509 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.74 -27.02 40.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.447 -0.783 . . . . 0.0 110.276 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 68.9 m-70 -109.53 98.42 32.37 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.502 -0.749 . . . . 0.0 110.015 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.99 102.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.368 1.194 . . . . 0.0 111.0 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.94 55.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.07 70.25 0.79 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.23 -45.42 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.63 -0.923 . . . . 0.0 109.946 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -100.23 -27.64 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.592 -0.692 . . . . 0.0 110.324 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 m -59.3 104.42 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.505 -0.747 . . . . 0.0 110.416 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 1.5 mt . . . . . 0 N--CA 1.5 2.064 0 O-C-N 121.39 -0.819 . . . . 0.0 111.47 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.099 0.476 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -90.86 20.95 4.4 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 111.095 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -61.72 -26.28 67.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.176 -0.953 . . . . 0.0 110.314 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -68.98 -22.36 64.1 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.555 -0.715 . . . . 0.0 110.825 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -93.25 -23.19 18.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.336 -0.852 . . . . 0.0 110.61 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 70' ' ' LEU . 4.8 m-85 -92.75 44.52 1.16 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.48 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 75' ' ' ILE . 70.3 mt -107.96 166.19 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.528 -0.732 . . . . 0.0 109.927 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.72 -34.1 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.465 -0.772 . . . . 0.0 110.798 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.22 -147.42 6.24 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -133.28 -175.5 3.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.597 -0.943 . . . . 0.0 110.303 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 tt -106.83 162.74 13.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.366 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -81.37 118.43 72.22 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.606 -0.684 . . . . 0.0 110.203 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -53.39 -23.12 23.03 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.141 1.074 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.69 -49.03 74.07 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.369 -0.832 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -93.67 -22.38 18.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.502 -0.749 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -58.27 -45.97 86.9 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.389 -0.82 . . . . 0.0 110.439 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -90.07 8.17 34.05 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.532 -0.73 . . . . 0.0 111.074 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt 54.89 56.19 6.93 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.1 -1.0 . . . . 0.0 110.396 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 pp . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.602 -0.686 . . . . 0.0 110.327 178.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.2 t -82.88 140.9 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.15 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -101.5 140.99 35.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.674 -0.641 . . . . 0.0 109.439 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.63 77.99 6.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.449 -0.782 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.07 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.601 -0.687 . . . . 0.0 109.853 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.2 p -136.59 168.55 19.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.484 -0.76 . . . . 0.0 110.541 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.1 -31.85 66.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.645 -0.659 . . . . 0.0 110.095 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.79 -27.11 67.31 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.627 -0.67 . . . . 0.0 110.328 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -79.9 -28.85 39.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.522 -0.737 . . . . 0.0 110.417 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.12 -22.55 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.482 -0.761 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -90.45 21.47 3.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.317 -0.864 . . . . 0.0 111.215 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -144.48 51.06 1.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.233 -0.917 . . . . 0.0 110.335 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.2 132.84 54.65 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.179 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.83 -167.94 1.59 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.132 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -70.47 0.52 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.632 -0.667 . . . . 0.0 110.215 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m 52.78 -159.65 0.12 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.413 -0.804 . . . . 0.0 110.749 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.75 -28.89 22.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.52 -0.738 . . . . 0.0 110.236 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.0 p -93.16 173.11 7.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.573 -0.705 . . . . 0.0 110.203 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -162.42 135.58 6.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.559 -0.713 . . . . 0.0 110.593 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -94.42 77.53 3.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.709 -0.619 . . . . 0.0 109.905 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.8 t -79.61 117.5 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.609 -0.682 . . . . 0.0 109.865 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.42 136.68 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.52 -0.738 . . . . 0.0 110.544 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -133.58 84.61 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.659 -0.651 . . . . 0.0 109.671 176.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 54.56 87.58 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.462 -0.774 . . . . 0.0 110.746 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 54.05 26.79 6.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.5 -0.75 . . . . 0.0 111.266 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -135.77 142.17 44.9 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.311 -0.868 . . . . 0.0 110.409 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.58 126.18 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.541 -0.724 . . . . 0.0 109.65 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 25' ' ' LEU . 24.5 m-85 -108.26 129.69 55.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.756 . . . . 0.0 111.129 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -102.91 82.93 2.16 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.89 42.54 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.634 -0.666 . . . . 0.0 110.653 -174.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -62.12 -26.42 68.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.47 -0.768 . . . . 0.0 110.212 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.38 51.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.527 -0.733 . . . . 0.0 110.43 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 85.6 t80 -89.91 -43.09 10.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 0.0 110.369 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tt -50.66 -26.49 5.51 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.34 -0.85 . . . . 0.0 110.839 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -95.38 -21.89 18.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.559 -0.713 . . . . 0.0 110.669 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -79.52 -36.93 37.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.977 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 65.7 m80 -135.09 61.79 48.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 109.72 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -65.76 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.217 1.114 . . . . 0.0 111.324 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.73 -71.19 0.7 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.01 -66.32 0.03 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.41 -45.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.951 . . . . 0.0 109.866 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.29 98.45 8.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 20.2 m -134.23 -47.33 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.291 -0.881 . . . . 0.0 110.765 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' O ' ' CZ ' ' A' ' 35' ' ' PHE . 1.4 mp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 121.592 -0.693 . . . . 0.0 111.365 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 120.886 0.374 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.414 HD22 ' CE1' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -90.08 -65.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.486 -0.759 . . . . 0.0 109.816 176.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -71.57 65.05 0.45 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.509 -0.744 . . . . 0.0 110.064 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -167.23 -60.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.682 . . . . 0.0 109.936 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -74.87 -23.48 58.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.56 -0.713 . . . . 0.0 110.491 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -89.95 47.47 1.46 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.393 -0.817 . . . . 0.0 110.25 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 30' ' ' TYR . 73.3 mt -125.7 156.29 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.412 -0.805 . . . . 0.0 110.246 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.8 pt -116.24 -24.79 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.668 -0.645 . . . . 0.0 110.886 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.0 -143.81 7.23 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.76 -170.05 3.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.54 -0.976 . . . . 0.0 110.234 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.6 tp -100.06 153.17 19.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 110.113 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -72.83 134.07 81.67 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.651 -0.655 . . . . 0.0 110.01 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.17 -22.56 26.14 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.118 1.062 . . . . 0.0 111.214 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.94 -60.27 3.82 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -79.92 -8.3 59.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.51 -0.744 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -59.49 -82.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.181 -0.949 . . . . 0.0 110.496 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -90.75 -86.52 0.21 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.226 -0.921 . . . . 0.0 110.589 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 90.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.024 -1.047 . . . . 0.0 110.08 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 87' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.284 0 O-C-N 121.599 -0.688 . . . . 0.0 111.147 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.123 0.487 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.7 t 53.29 91.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.779 . . . . 0.0 110.684 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 2.1 tttp -84.1 158.12 21.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.551 -0.718 . . . . 0.0 109.643 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -85.74 86.27 7.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.5 -0.75 . . . . 0.0 110.463 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 80.1 m-85 -75.04 135.35 41.25 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.601 -0.687 . . . . 0.0 109.8 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -92.04 130.52 37.76 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.532 -0.73 . . . . 0.0 110.083 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.22 -25.37 58.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.441 -0.787 . . . . 0.0 110.452 176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.15 -38.76 80.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.495 -0.753 . . . . 0.0 110.161 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.42 -26.25 23.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.726 . . . . 0.0 110.548 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -82.86 -18.98 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.523 -0.736 . . . . 0.0 110.694 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.92 48.91 1.69 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.212 -0.93 . . . . 0.0 110.32 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -168.48 33.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.031 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.13 -168.71 1.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.598 -0.689 . . . . 0.0 110.22 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -91.92 163.73 13.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.619 -0.676 . . . . 0.0 110.21 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -111.1 -27.51 8.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.514 -0.742 . . . . 0.0 110.36 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -60.52 -28.27 68.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.476 -0.765 . . . . 0.0 110.264 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -147.22 166.37 27.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.509 -0.744 . . . . 0.0 110.361 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t 52.88 69.08 0.74 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.355 -0.841 . . . . 0.0 110.785 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -76.96 113.93 15.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.541 -0.724 . . . . 0.0 110.314 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -99.03 66.44 1.55 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.448 -0.783 . . . . 0.0 110.131 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.95 152.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.494 -0.754 . . . . 0.0 109.915 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.44 138.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.545 -0.722 . . . . 0.0 109.839 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.31 -76.02 0.28 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.547 -0.721 . . . . 0.0 110.118 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -124.16 -51.85 1.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.529 -0.732 . . . . 0.0 109.728 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -142.25 24.12 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.628 -0.67 . . . . 0.0 110.241 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -123.88 138.16 54.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.473 -0.767 . . . . 0.0 110.183 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.11 125.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.768 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 75' ' ' ILE . 29.9 m-85 -107.68 129.41 55.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.569 -0.707 . . . . 0.0 111.175 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -105.93 77.95 1.29 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.93 49.74 1.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.628 -0.67 . . . . 0.0 110.466 -174.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -70.03 -25.3 63.5 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.395 -0.816 . . . . 0.0 110.266 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -75.81 -30.28 58.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.464 -0.773 . . . . 0.0 109.926 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CD2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -74.9 -41.93 58.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 109.77 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -35.39 76.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.554 -0.716 . . . . 0.0 110.119 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.53 26.14 4.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -104.69 -30.18 10.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.515 -0.74 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -128.32 85.93 59.17 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.607 -0.683 . . . . 0.0 109.974 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.29 96.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.34 1.179 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.27 30.99 2.74 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.76 87.83 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 67.32 -63.05 0.3 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.659 -0.907 . . . . 0.0 110.844 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.57 38.54 1.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.851 . . . . 0.0 110.61 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.29 170.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 O-C-N 121.456 -0.777 . . . . 0.0 109.508 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 35' ' ' PHE . 2.0 mt . . . . . 0 N--CA 1.503 2.18 0 O-C-N 121.318 -0.864 . . . . 0.0 111.089 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -90.75 -63.68 1.24 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.458 -0.777 . . . . 0.0 110.09 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -71.31 67.34 0.48 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 0.0 110.186 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -168.46 -40.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.503 -0.748 . . . . 0.0 110.071 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 t -99.31 -22.0 15.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.571 -0.706 . . . . 0.0 110.565 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 28.9 m-85 -90.91 47.76 1.45 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 178.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.421 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.0 mt -123.52 165.32 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 77' ' ' GLY . 31.4 pt -127.63 -35.81 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.53 -0.732 . . . . 0.0 110.965 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.13 -154.23 11.8 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.92 -168.23 1.28 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.581 -0.952 . . . . 0.0 110.355 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.49 159.5 17.46 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.586 -0.696 . . . . 0.0 110.044 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -85.72 113.61 52.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.629 -0.669 . . . . 0.0 110.013 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.2 -22.79 20.81 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 O-C-N 123.185 1.097 . . . . 0.0 111.39 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -53.94 -54.3 40.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.32 -0.862 . . . . 0.0 111.266 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.94 -14.94 49.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.364 -0.835 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.097 -1.002 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 t -90.87 -87.11 0.2 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.153 -0.967 . . . . 0.0 110.408 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.66 70.88 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.105 -0.997 . . . . 0.0 109.755 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.353 -0.842 . . . . 0.0 110.082 179.087 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.137 0.494 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.77 145.1 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.591 -0.693 . . . . 0.0 110.067 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -156.07 0.59 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.572 -0.705 . . . . 0.0 109.903 176.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -132.53 96.39 3.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.495 -0.753 . . . . 0.0 110.298 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.437 ' CE2' ' CD1' ' A' ' 76' ' ' ILE . 37.2 m-85 -81.5 135.21 35.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.574 -0.704 . . . . 0.0 110.251 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -67.08 151.69 47.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.587 -0.695 . . . . 0.0 110.04 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.49 -28.84 68.88 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.567 -0.708 . . . . 0.0 110.203 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -69.47 -27.84 65.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.573 -0.705 . . . . 0.0 110.194 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -26.27 49.21 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.534 -0.729 . . . . 0.0 110.396 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.8 -20.18 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.527 -0.733 . . . . 0.0 110.478 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -90.35 48.71 1.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.335 -0.853 . . . . 0.0 110.352 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 26.42 0.88 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -0.758 . . . . 0.0 110.452 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 22' ' ' TRP . 53.7 m-70 -98.64 -156.06 0.53 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 56.67 52.4 9.7 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.127 -0.983 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -168.36 -45.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.651 -0.656 . . . . 0.0 109.845 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.55 50.49 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.602 -0.686 . . . . 0.0 110.054 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG2' ' CE1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -136.94 -152.67 0.45 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.51 -0.743 . . . . 0.0 109.928 178.626 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.7 m -102.23 -158.76 0.69 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 110.48 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -103.53 86.84 2.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.442 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.495 ' CG ' ' CE1' ' A' ' 15' ' ' HIS . 5.6 m95 -80.0 75.76 6.73 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.465 -0.772 . . . . 0.0 110.273 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.6 137.74 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.591 -0.693 . . . . 0.0 109.332 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -109.77 136.85 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.378 -0.826 . . . . 0.0 110.456 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 30' ' ' TYR . 4.2 mm? -98.9 51.22 0.96 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.45 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 56.92 18.97 4.2 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.614 -0.679 . . . . 0.0 110.887 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.404 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 13.3 t-160 -176.29 -62.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.0 110.04 176.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -80.75 147.55 30.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.683 -0.636 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.81 125.68 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.582 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.3 m-85 -107.14 123.54 48.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 111.034 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 14.1 t0 -105.48 85.58 2.27 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.8 69.69 2.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.543 -0.723 . . . . 0.0 110.28 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 p -67.72 -41.59 83.25 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.422 -0.799 . . . . 0.0 109.964 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -60.53 -30.77 69.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.57 -0.706 . . . . 0.0 109.85 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 80.8 t80 -80.65 -43.23 20.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.594 -0.691 . . . . 0.0 109.485 175.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.95 -30.28 70.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.779 -0.575 . . . . 0.0 109.738 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -77.37 -29.46 53.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.243 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -85.41 -28.9 24.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.574 -0.704 . . . . 0.0 110.206 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 67.1 m80 -119.62 84.84 31.32 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 110.252 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.98 103.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 O-C-N 123.357 1.188 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.79 -88.77 0.07 OUTLIER Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.26 -149.76 7.06 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.7 -72.39 0.19 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.974 . . . . 0.0 110.217 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.58 69.03 0.4 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.297 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.82 -19.37 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.518 -0.739 . . . . 0.0 110.683 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 1.5 mp . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.268 -0.895 . . . . 0.0 110.15 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.071 0.462 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' CG ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -81.29 -53.95 5.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.241 178.18 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -84.3 56.63 3.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.716 . . . . 0.0 110.23 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -146.03 -66.1 0.3 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.495 -0.753 . . . . 0.0 110.356 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.43 HG21 ' CE1' ' A' ' 74' ' ' TYR . 13.4 t -94.12 20.85 7.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.703 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' THR . 36.2 m-85 -115.85 28.81 8.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.82 . . . . 0.0 109.796 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 30' ' ' TYR . 68.4 mt -113.79 157.99 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.537 -0.727 . . . . 0.0 110.789 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.437 ' CD1' ' CE2' ' A' ' 7' ' ' TYR . 3.6 pt -121.84 -26.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.667 -0.646 . . . . 0.0 111.092 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.06 -147.41 8.32 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 4.5 mt-10 -132.79 -166.81 1.81 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.518 -0.99 . . . . 0.0 110.744 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.34 132.29 49.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.732 -0.605 . . . . 0.0 109.846 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.86 114.55 10.69 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.74 -24.91 10.6 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 O-C-N 122.988 0.994 . . . . 0.0 111.687 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.14 -25.44 63.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.775 . . . . 0.0 110.802 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -134.07 -5.21 2.73 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.29 -0.881 . . . . 0.0 112.134 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -50.82 -48.79 59.72 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.938 -1.101 . . . . 0.0 110.845 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -90.18 -78.0 0.38 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.557 -0.714 . . . . 0.0 110.048 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -170.22 32.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.968 176.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.387 -0.821 . . . . 0.0 110.187 177.849 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.1 0.476 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.3 141.86 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.559 -0.713 . . . . 0.0 110.04 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -115.82 147.68 40.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 109.683 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD2' ' HD3' ' A' ' 81' ' ' PRO . 10.1 m-85 -79.89 86.78 5.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.51 -0.744 . . . . 0.0 110.285 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -61.48 -169.36 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.617 -0.677 . . . . 0.0 110.066 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.2 p -130.88 147.9 52.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.561 -0.712 . . . . 0.0 110.279 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.89 -27.72 68.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.569 -0.707 . . . . 0.0 110.295 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.58 -31.12 61.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.525 -0.734 . . . . 0.0 110.356 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -79.72 -26.1 40.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.523 -0.736 . . . . 0.0 110.431 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -79.3 -32.6 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.514 -0.741 . . . . 0.0 109.994 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.33 48.7 1.59 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.6 -0.687 . . . . 0.0 110.42 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 58.84 0.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' CE1' ' NE1' ' A' ' 22' ' ' TRP . 24.1 m-70 -114.41 85.45 2.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.561 -0.712 . . . . 0.0 110.188 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -139.26 28.22 2.29 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.688 -0.632 . . . . 0.0 110.298 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -103.26 -72.33 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.16 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p -102.3 -158.25 0.66 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.623 -0.673 . . . . 0.0 110.043 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -103.8 137.03 42.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 110.08 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -170.54 -168.99 0.75 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.589 -0.694 . . . . 0.0 110.11 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 t -160.57 118.16 2.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.597 -0.69 . . . . 0.0 110.251 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.45 ' NE1' ' CE1' ' A' ' 15' ' ' HIS . 6.8 m95 -107.05 82.98 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.719 . . . . 0.0 110.123 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -85.55 104.05 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.673 -0.642 . . . . 0.0 110.18 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 mm -79.37 137.2 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.382 -0.824 . . . . 0.0 109.631 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -105.77 -83.71 0.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 110.245 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -110.24 -27.43 9.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.208 -0.933 . . . . 0.0 110.124 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 78' ' ' GLU . 8.6 t-160 -167.18 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.62 -0.675 . . . . 0.0 109.739 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.48 142.5 58.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.547 -0.721 . . . . 0.0 110.395 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.424 HG11 ' CE3' ' A' ' 22' ' ' TRP . 59.5 t -100.11 124.03 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.662 -0.649 . . . . 0.0 109.504 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.412 ' CE1' HD12 ' A' ' 25' ' ' LEU . 24.8 m-85 -92.59 114.23 26.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.528 -0.733 . . . . 0.0 111.021 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 24.9 t0 -95.29 72.99 3.31 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 170.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.18 57.95 2.39 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.672 -0.643 . . . . 0.0 110.446 -174.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.3 p -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -60.63 -25.11 66.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.482 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 9.2 t80 -89.97 -27.68 19.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.16 -26.14 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.571 -0.706 . . . . 0.0 110.398 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.68 -25.4 12.72 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.577 -0.702 . . . . 0.0 110.529 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 50.9 tt0 -86.41 -40.9 14.91 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.378 -0.827 . . . . 0.0 110.011 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 46.9 m80 -132.83 65.28 73.87 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.592 -0.693 . . . . 0.0 109.813 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.44 -53.6 6.61 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 O-C-N 123.288 1.152 . . . . 0.0 111.132 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.69 -68.6 0.99 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 -52.85 0.05 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -168.8 -66.46 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.549 -0.971 . . . . 0.0 110.031 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.41 -7.97 23.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.5 -0.75 . . . . 0.0 111.07 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.85 -168.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.814 0 O-C-N 121.34 -0.85 . . . . 0.0 111.5 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp . . . . . 0 N--CA 1.5 2.046 0 O-C-N 121.444 -0.785 . . . . 0.0 111.233 -179.393 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 121.049 0.452 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HG ' ' CE1' ' A' ' 74' ' ' TYR . 6.7 tp -77.41 -25.46 50.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.599 -0.688 . . . . 0.0 110.38 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 p -72.03 64.52 0.53 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.287 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -158.7 -68.16 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.558 -0.714 . . . . 0.0 109.89 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 t -63.18 -17.28 62.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.518 -0.738 . . . . 0.0 110.645 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE1' ' HG ' ' A' ' 70' ' ' LEU . 64.9 m-85 -94.57 26.28 3.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.267 -0.896 . . . . 0.0 110.486 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.74 162.73 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.409 -0.807 . . . . 0.0 109.938 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.407 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 31.4 pt -124.89 -35.03 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.34 -152.7 9.56 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 10.9 mt-10 -126.56 -167.71 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.632 -0.923 . . . . 0.0 110.124 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -106.83 166.31 10.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.557 -0.715 . . . . 0.0 109.984 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -81.07 133.01 55.05 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.728 . . . . 0.0 110.189 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD3' ' CD2' ' A' ' 6' ' ' TYR . 50.4 Cg_exo -53.06 -23.73 22.89 Favored 'Trans proline' 0 N--CA 1.492 1.403 0 O-C-N 123.086 1.045 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.58 -55.16 37.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.377 -0.827 . . . . 0.0 110.532 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.89 -24.0 41.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.56 -0.713 . . . . 0.0 110.387 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -58.03 -61.89 2.21 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.347 -0.846 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -79.8 -149.0 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.652 -0.655 . . . . 0.0 109.445 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 -92.62 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.915 . . . . 0.0 109.361 175.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.8 mm . . . . . 0 N--CA 1.497 1.907 0 O-C-N 120.896 -1.128 . . . . 0.0 109.958 176.692 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 121.077 0.465 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.34 141.7 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.565 -0.709 . . . . 0.0 110.054 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -117.96 156.8 27.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.62 -0.675 . . . . 0.0 109.751 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.18 93.34 9.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 110.34 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -75.64 -168.53 0.87 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.633 -0.667 . . . . 0.0 110.037 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p -125.94 163.84 22.09 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.74 -38.48 67.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.66 -0.65 . . . . 0.0 110.083 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.57 -27.62 67.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 0.0 110.298 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -90.28 -30.84 17.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.549 -0.719 . . . . 0.0 110.755 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.21 -54.16 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.477 -0.764 . . . . 0.0 110.378 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -55.54 -22.21 20.51 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.483 -0.761 . . . . 0.0 110.96 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -59.27 -27.45 65.83 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.462 -0.774 . . . . 0.0 110.412 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.8 m-70 -79.82 160.08 26.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 177.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.62 -42.42 0.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.564 -0.71 . . . . 0.0 110.461 178.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -169.04 -37.59 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.5 -0.75 . . . . 0.0 110.832 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -50.32 100.95 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 62.03 136.2 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.564 0.697 . . . . 0.0 110.866 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m 51.04 -173.4 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.371 -0.831 . . . . 0.0 111.054 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -157.4 118.79 3.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.517 -0.739 . . . . 0.0 110.35 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -93.7 75.6 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.769 . . . . 0.0 109.782 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.4 t -79.34 159.83 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.587 -0.696 . . . . 0.0 109.414 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.99 136.29 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.686 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 30' ' ' TYR . 3.8 mm? -89.02 55.86 3.49 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 57.8 17.0 3.89 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.765 -0.584 . . . . 0.0 111.196 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -177.34 -62.31 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.086 -1.009 . . . . 0.0 110.088 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.04 127.45 33.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.623 -0.673 . . . . 0.0 110.414 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.81 128.95 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.552 -0.718 . . . . 0.0 109.583 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 25' ' ' LEU . 25.9 m-85 -106.87 137.69 44.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.682 . . . . 0.0 111.289 -178.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.65 84.12 1.87 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 169.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.61 27.94 2.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.591 -0.693 . . . . 0.0 110.602 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -58.86 -26.69 64.45 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.331 -0.856 . . . . 0.0 110.45 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -84.74 -29.08 25.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.193 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 83.2 t80 -84.1 -34.62 24.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.529 -0.732 . . . . 0.0 110.195 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -42.92 96.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.556 -0.715 . . . . 0.0 110.265 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.57 -21.48 38.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.709 -0.619 . . . . 0.0 110.733 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -79.44 -27.31 41.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 15.7 m80 -111.78 95.66 29.41 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.067 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.58 102.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.398 1.21 . . . . 0.0 111.009 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.13 -73.39 0.17 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.95 -50.99 3.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -83.41 -46.6 12.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.683 -0.893 . . . . 0.0 110.234 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -59.41 -26.1 64.87 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.47 -0.769 . . . . 0.0 110.549 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.95 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.497 -0.752 . . . . 0.0 110.069 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.16 0 O-C-N 121.296 -0.877 . . . . 0.0 110.72 177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.092 0.472 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 3.3 mm? -82.67 -28.3 30.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 110.324 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -72.07 64.42 0.53 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 110.195 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -168.88 -41.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 110.116 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -96.53 -23.85 16.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 110.58 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 11.9 m-85 -90.76 48.14 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 110.252 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 30' ' ' TYR . 71.7 mt -112.83 162.71 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.465 -0.772 . . . . 0.0 109.817 178.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.6 pt -119.99 -31.82 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.448 -0.783 . . . . 0.0 110.968 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.21 -155.27 15.55 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -126.44 -167.21 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.607 -0.937 . . . . 0.0 110.422 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -109.27 158.24 18.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.064 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -83.48 135.91 43.24 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 109.622 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.87 -21.75 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 O-C-N 123.132 1.07 . . . . 0.0 111.858 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -63.66 -13.68 44.9 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.267 -0.896 . . . . 0.0 111.735 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -125.46 -3.13 7.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.0 111.415 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.08 175.84 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.151 -0.968 . . . . 0.0 110.941 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 t -56.16 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.586 -0.696 . . . . 0.0 111.261 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 56.38 88.99 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.822 . . . . 0.0 110.607 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.186 0.517 . . . . 0.0 110.105 175.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 121.057 0.456 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.72 150.83 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.599 -0.688 . . . . 0.0 110.112 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.12 -167.9 1.33 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.719 -0.613 . . . . 0.0 109.568 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.84 87.53 2.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.371 -0.83 . . . . 0.0 110.29 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.426 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 31.0 m-85 -61.4 -164.27 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.626 -0.671 . . . . 0.0 110.085 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.95 154.37 37.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.467 -0.771 . . . . 0.0 110.393 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.86 -28.44 69.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.628 -0.67 . . . . 0.0 110.25 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -74.7 -28.01 60.63 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.549 -0.72 . . . . 0.0 110.275 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 2.2 mm-40 -71.57 -28.73 64.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.212 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mt -94.66 -29.32 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.564 -0.71 . . . . 0.0 109.991 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.8 20.05 5.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.561 -0.712 . . . . 0.0 111.081 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -133.21 31.05 3.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.246 -0.909 . . . . 0.0 110.281 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 4.9 m-70 -116.86 81.21 1.6 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 178.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -28.62 68.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.514 -0.741 . . . . 0.0 110.277 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -168.15 -66.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 p 49.57 31.78 4.42 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.527 -0.733 . . . . 0.0 111.112 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt 66.56 -66.78 0.17 Allowed 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.513 -0.742 . . . . 0.0 110.711 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -67.37 -177.98 0.79 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 110.119 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -137.74 126.09 23.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.564 -0.71 . . . . 0.0 110.294 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -99.89 84.64 2.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.583 -0.698 . . . . 0.0 110.249 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.8 165.38 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.508 -0.745 . . . . 0.0 109.991 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -140.29 143.54 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.551 -0.718 . . . . 0.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -123.77 -79.73 0.62 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.458 -0.776 . . . . 0.0 110.495 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -108.41 78.05 1.14 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.297 -0.877 . . . . 0.0 109.846 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 54.63 22.24 3.9 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.0 110.677 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -119.84 141.24 49.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.614 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.49 140.74 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.547 -0.721 . . . . 0.0 110.066 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 75' ' ' ILE . 10.1 m-85 -113.96 132.91 55.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.689 -0.632 . . . . 0.0 111.031 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -108.98 86.06 2.21 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 31.06 2.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.656 -0.653 . . . . 0.0 110.515 -175.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -62.91 -27.17 69.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.45 -0.781 . . . . 0.0 110.357 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -88.22 -28.94 20.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.14 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 70' ' ' LEU . 37.3 t80 -79.65 -27.28 40.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.58 -0.7 . . . . 0.0 110.238 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.81 -28.8 67.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.424 -0.797 . . . . 0.0 110.29 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -112.0 29.61 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.597 -0.689 . . . . 0.0 110.156 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.84 -53.41 2.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 110.305 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -117.44 80.56 13.01 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.14 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.473 1.249 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.75 -94.36 2.14 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.25 50.19 0.79 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 56.55 -85.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.713 -0.875 . . . . 0.0 110.759 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -94.3 107.58 19.52 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.154 -0.966 . . . . 0.0 110.157 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.96 -24.55 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.543 -0.723 . . . . 0.0 110.531 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mt . . . . . 0 N--CA 1.497 1.889 0 O-C-N 121.446 -0.784 . . . . 0.0 110.434 178.683 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 121.062 0.458 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 35' ' ' PHE . 6.6 mt -90.04 -27.85 19.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.545 -0.722 . . . . 0.0 110.253 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -72.08 64.67 0.54 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.062 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -169.42 -39.58 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.445 -0.784 . . . . 0.0 110.27 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -98.29 -16.04 19.54 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.44 -0.788 . . . . 0.0 110.834 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.78 23.4 4.8 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.292 -0.88 . . . . 0.0 110.654 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 9.0 mm -88.39 163.73 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.332 -0.855 . . . . 0.0 109.402 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.5 pt -121.72 -33.01 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.428 -0.795 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA3' ' CE2' ' A' ' 7' ' ' TYR . . . -179.06 -162.2 27.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.97 -173.25 2.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.621 -0.929 . . . . 0.0 110.205 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.0 tt -108.36 150.28 27.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.676 . . . . 0.0 110.079 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.36 111.57 4.21 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.611 -0.681 . . . . 0.0 110.147 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.13 -24.01 24.39 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 O-C-N 123.196 1.103 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.24 -28.11 66.39 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.464 -0.773 . . . . 0.0 110.448 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -102.62 -24.68 13.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.566 -0.709 . . . . 0.0 110.434 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -56.54 -64.31 0.91 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.392 -0.818 . . . . 0.0 109.909 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -148.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.66 -95.13 0.48 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.098 -1.001 . . . . 0.0 109.732 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.9 mm . . . . . 0 N--CA 1.496 1.871 0 O-C-N 120.931 -1.106 . . . . 0.0 109.933 177.328 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.086 0.47 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.4 t 53.99 103.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.509 -0.744 . . . . 0.0 110.578 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -85.49 161.0 19.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.578 -0.701 . . . . 0.0 109.432 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -87.16 93.45 9.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.442 -0.786 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 76' ' ' ILE . 49.6 m-85 -76.07 -164.05 0.34 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.683 -0.635 . . . . 0.0 109.326 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.8 p -142.3 148.24 37.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.326 -0.859 . . . . 0.0 110.621 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.9 -26.79 66.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.698 -0.626 . . . . 0.0 110.379 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.39 -51.27 12.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.547 -0.721 . . . . 0.0 110.407 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -30.93 70.66 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 mt -76.88 -29.14 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.95 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.91 20.79 4.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.587 -0.695 . . . . 0.0 111.017 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -128.44 29.65 5.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.202 -0.936 . . . . 0.0 110.258 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -124.42 91.61 3.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.61 -0.682 . . . . 0.0 110.161 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -112.87 -31.57 6.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.311 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.89 -156.6 0.12 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.499 -0.751 . . . . 0.0 110.242 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.7 m 52.75 -176.22 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.492 -0.755 . . . . 0.0 110.837 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -113.6 19.66 16.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.555 -0.715 . . . . 0.0 110.733 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.96 99.29 10.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.283 -0.885 . . . . 0.0 110.293 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -76.77 124.26 27.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.631 -0.668 . . . . 0.0 110.265 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -102.19 80.95 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.535 -0.728 . . . . 0.0 110.332 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.54 144.43 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.452 -0.78 . . . . 0.0 109.219 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 mt -114.09 136.3 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.425 -0.797 . . . . 0.0 110.574 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 1.8 mm? -104.81 63.51 0.72 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.18 29.03 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' NH1' ' A' ' 84' ' ' ARG . 21.7 t-160 -177.83 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 0.0 109.763 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -82.86 160.57 22.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 110.707 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.65 127.81 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.767 -0.583 . . . . 0.0 109.505 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.423 ' CE2' HG12 ' A' ' 75' ' ' ILE . 16.4 m-85 -103.76 116.84 33.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.636 -0.665 . . . . 0.0 111.123 -176.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -98.8 73.22 1.99 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.75 65.5 4.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.775 -0.578 . . . . 0.0 109.987 -175.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.1 p -63.28 -50.57 69.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.73 . . . . 0.0 110.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -59.1 -27.92 66.03 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.547 -0.721 . . . . 0.0 110.368 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CZ ' ' ND1' ' A' ' 39' ' ' HIS . 22.5 t80 -73.17 -39.49 65.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.565 -0.709 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -25.96 59.85 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 110.521 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.53 -29.04 28.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 110.627 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -65.84 0.95 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.357 -0.839 . . . . 0.0 109.988 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CZ ' ' A' ' 35' ' ' PHE . 76.7 m80 -79.83 169.74 18.81 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.481 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.7 -30.15 36.15 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 O-C-N 123.198 1.104 . . . . 0.0 110.579 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.23 -61.57 2.66 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 25.22 27.44 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -145.88 -82.85 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.424 -1.045 . . . . 0.0 110.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -100.31 72.6 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.548 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 p -110.28 136.73 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.611 -0.681 . . . . 0.0 110.575 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 35' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.501 2.108 0 O-C-N 121.519 -0.738 . . . . 0.0 111.555 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.15 0.5 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -91.22 23.51 3.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.513 -0.742 . . . . 0.0 111.036 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -69.48 73.93 0.37 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.377 -0.827 . . . . 0.0 110.059 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -167.64 -45.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.561 -0.712 . . . . 0.0 110.351 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.8 p -93.84 20.37 7.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.509 -0.745 . . . . 0.0 110.687 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' CD1' HD13 ' A' ' 70' ' ' LEU . 55.6 m-85 -134.01 28.14 3.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.43 -0.794 . . . . 0.0 109.908 177.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.8 mt -109.72 163.83 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.523 -0.735 . . . . 0.0 110.517 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 76' ' ' ILE . 30.4 pt -124.82 -35.59 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.71 -0.619 . . . . 0.0 110.756 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.54 -167.66 40.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -113.26 153.3 28.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.719 -0.871 . . . . 0.0 110.165 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.76 177.71 5.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.569 -0.707 . . . . 0.0 110.483 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.05 129.71 72.11 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.76 -24.19 17.55 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 O-C-N 123.194 1.102 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.25 -28.43 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.391 -0.818 . . . . 0.0 111.113 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -117.08 -12.01 10.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.797 . . . . 0.0 111.04 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' NH1' ' CD2' ' A' ' 27' ' ' HIS . 7.0 tmm_? -61.03 -64.15 1.05 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.476 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -90.31 -92.72 0.13 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.45 -0.781 . . . . 0.0 110.356 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -175.54 59.16 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.752 -1.218 . . . . 0.0 110.136 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.334 -0.854 . . . . 0.0 110.463 177.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.097 0.475 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -151.86 28.97 0.6 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.527 -0.733 . . . . 0.0 110.229 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -135.35 98.19 3.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.9 t 53.64 101.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.401 -0.812 . . . . 0.0 110.639 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -89.61 151.12 22.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 109.768 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.91 85.28 5.56 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.539 -0.726 . . . . 0.0 110.303 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -61.74 -168.69 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.709 . . . . 0.0 109.966 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.3 p -125.79 167.72 14.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.381 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 79' ' ' LEU . 3.6 tp -76.11 -35.37 59.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.655 -0.653 . . . . 0.0 110.285 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -69.61 -29.99 67.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.51 -0.744 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.63 -28.95 51.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.0 mt -88.94 -34.31 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -90.35 48.69 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -150.35 28.88 0.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.489 -0.757 . . . . 0.0 110.208 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 74.9 m-70 -101.66 48.1 0.89 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.591 -0.693 . . . . 0.0 110.253 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -80.6 -29.63 36.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.518 -0.739 . . . . 0.0 110.146 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.95 -157.97 0.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.55 -0.719 . . . . 0.0 110.152 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 52.99 -159.34 0.13 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.422 -0.799 . . . . 0.0 110.78 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -121.76 -155.2 0.63 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.552 -0.718 . . . . 0.0 109.691 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m 53.13 98.53 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.257 -0.902 . . . . 0.0 110.802 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -75.64 136.82 40.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 110.347 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.49 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 4.8 m95 -107.29 76.64 1.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.58 -0.7 . . . . 0.0 110.13 177.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -79.85 166.89 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.717 . . . . 0.0 109.918 178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -134.25 138.16 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.702 . . . . 0.0 109.89 177.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -86.16 -76.2 0.35 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.582 -0.699 . . . . 0.0 109.993 178.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -125.29 -53.01 1.61 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.477 -0.764 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -141.31 20.65 2.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.7 -0.625 . . . . 0.0 110.231 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -119.03 140.23 50.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.413 -0.805 . . . . 0.0 110.169 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.9 t -91.79 126.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.61 -0.681 . . . . 0.0 109.749 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.416 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -106.45 118.01 35.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 11.2 t0 -95.07 73.74 3.44 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.72 57.42 3.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.646 -0.658 . . . . 0.0 110.164 -175.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.2 t -69.4 -25.86 64.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.392 -0.817 . . . . 0.0 110.547 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.48 -26.08 38.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.526 -0.734 . . . . 0.0 110.396 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.45 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 72.6 t80 -84.66 -28.97 26.04 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.768 . . . . 0.0 110.192 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.8 tt -60.26 -34.09 73.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.55 -0.719 . . . . 0.0 110.238 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -104.17 28.71 6.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.237 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -110.1 -48.8 3.14 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.583 -0.698 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.45 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 41.1 m80 -115.73 84.48 12.8 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.593 -0.692 . . . . 0.0 110.133 177.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.05 91.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 O-C-N 123.408 1.215 . . . . 0.0 111.05 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.04 -46.32 0.07 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.81 36.28 0.23 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 55.53 -87.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.68 -0.894 . . . . 0.0 110.807 178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.7 106.49 18.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.084 -1.01 . . . . 0.0 110.355 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.62 26.6 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.361 -0.837 . . . . 0.0 110.481 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.65 53.12 2.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.456 -0.777 . . . . 0.0 110.299 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.23 75.36 0.23 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.386 -0.821 . . . . 0.0 110.957 177.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -169.13 40.01 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.542 -0.724 . . . . 0.0 110.278 177.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -129.24 -43.94 1.29 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.545 -0.722 . . . . 0.0 110.171 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.9 28.65 8.61 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.517 -0.739 . . . . 0.0 110.221 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.02 -144.71 49.72 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.93 30.23 3.05 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 52.72 79.89 0.11 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.417 -1.049 . . . . 0.0 110.796 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.66 -166.87 0.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.426 -0.797 . . . . 0.0 110.782 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.7 m -100.31 47.49 0.93 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.186 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 52.74 -153.8 0.23 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.324 -0.86 . . . . 0.0 110.498 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -58.67 -36.41 74.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.33 -158.51 0.17 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.0 109.974 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.28 135.76 38.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.706 . . . . 0.0 110.17 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -82.1 149.64 27.92 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.594 -0.691 . . . . 0.0 110.157 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.15 35.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.614 -0.679 . . . . 0.0 110.32 178.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.35 -58.98 9.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -111.33 34.07 4.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.614 -0.933 . . . . 0.0 110.303 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -118.24 150.19 39.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.684 . . . . 0.0 110.228 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -124.2 -41.97 2.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 110.217 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.49 49.89 1.31 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.56 -0.712 . . . . 0.0 110.214 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.81 82.82 7.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.584 -0.697 . . . . 0.0 110.196 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -135.58 -50.67 0.73 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.598 -0.689 . . . . 0.0 110.19 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -139.03 40.09 2.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.564 -0.71 . . . . 0.0 110.231 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' CD1' ' A' ' 74' ' ' TYR . 1.2 tt -81.35 -27.41 34.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.568 -0.708 . . . . 0.0 110.306 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -94.54 43.35 1.1 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 0.0 110.205 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -146.11 -67.58 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.57 -0.706 . . . . 0.0 110.154 177.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.448 ' CG2' ' CD1' ' A' ' 74' ' ' TYR . 10.8 t -67.05 -12.6 60.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.504 -0.748 . . . . 0.0 111.011 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' CD1' ' CG2' ' A' ' 73' ' ' THR . 78.3 m-85 -94.48 25.27 4.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.215 -0.928 . . . . 0.0 110.453 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.416 HG12 ' CD2' ' A' ' 30' ' ' TYR . 69.5 mt -114.08 164.88 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.36 -0.838 . . . . 0.0 110.403 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 ' CD1' ' CH2' ' A' ' 22' ' ' TRP . 29.1 pt -127.62 -36.7 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.867 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.12 -151.37 9.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -120.54 -175.41 3.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.997 . . . . 0.0 110.318 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' CD1' ' CD1' ' A' ' 9' ' ' LEU . 6.9 tt -109.86 147.12 33.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.597 -0.689 . . . . 0.0 110.162 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -61.19 112.16 5.39 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.535 -0.728 . . . . 0.0 109.969 177.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.05 -26.11 24.58 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 O-C-N 123.103 1.054 . . . . 0.0 111.1 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.37 -25.84 64.59 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.587 -0.696 . . . . 0.0 110.527 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.74 -22.64 15.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.469 -0.769 . . . . 0.0 110.724 178.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.9 mmm180 -56.11 -172.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.334 -0.854 . . . . 0.0 110.647 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 m -74.03 76.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.593 -0.692 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.61 75.69 0.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.157 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.8 mm -97.02 28.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.65 -176.19 5.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.077 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -137.47 63.09 39.85 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.582 -0.699 . . . . 0.0 110.189 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.1 159.22 5.73 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 O-C-N 123.27 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.7 t 52.78 -159.26 0.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.394 -0.817 . . . . 0.0 110.802 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 52.93 31.73 11.37 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.784 . . . . 0.0 110.76 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -140.63 -45.25 0.4 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.566 -0.709 . . . . 0.0 110.182 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.255 178.042 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.07 0.462 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -124.17 28.86 6.59 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.513 -0.742 . . . . 0.0 110.229 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.34 109.09 20.58 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.611 -0.68 . . . . 0.0 110.225 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.0 t 56.79 166.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 121.534 0.683 . . . . 0.0 110.704 178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -144.48 142.32 30.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.575 -0.703 . . . . 0.0 109.649 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -79.9 78.89 6.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.558 -0.713 . . . . 0.0 110.346 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -61.76 -168.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.635 -0.666 . . . . 0.0 109.914 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 75.7 p -125.02 177.34 6.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.183 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 mp -83.32 -44.25 15.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.611 -0.68 . . . . 0.0 110.169 178.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.67 -26.95 67.47 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 110.458 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.19 -40.85 21.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.477 -0.765 . . . . 0.0 110.281 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.47 -26.78 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.595 -0.69 . . . . 0.0 110.217 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.19 49.13 1.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.461 -0.774 . . . . 0.0 110.341 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -159.95 32.47 0.18 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.536 -0.728 . . . . 0.0 110.251 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -121.7 92.96 3.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.541 -0.725 . . . . 0.0 110.206 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -167.7 32.67 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.56 -0.713 . . . . 0.0 110.308 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -168.57 -40.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.566 -0.708 . . . . 0.0 110.256 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 p -82.2 57.91 3.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.465 -0.772 . . . . 0.0 110.333 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 55.85 173.67 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.268 -0.895 . . . . 0.0 110.713 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 t 53.45 179.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.614 -0.679 . . . . 0.0 110.844 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -158.51 133.73 8.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 110.302 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -104.42 75.45 1.24 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.524 -0.735 . . . . 0.0 110.094 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.59 145.04 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.5 -0.75 . . . . 0.0 109.897 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -116.78 138.18 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 0.0 109.797 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD21 ' CD1' ' A' ' 30' ' ' TYR . 4.4 mm? -88.54 -38.21 15.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.605 -0.684 . . . . 0.0 109.909 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -170.08 -39.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.573 -0.704 . . . . 0.0 109.688 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -138.98 -44.29 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.728 -0.607 . . . . 0.0 109.71 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.42 133.64 48.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 110.334 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 128.18 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.694 -0.629 . . . . 0.0 109.522 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 75' ' ' ILE . 21.6 m-85 -99.69 124.58 45.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.731 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -98.15 79.22 2.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 170.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -88.33 48.41 1.63 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.631 -0.668 . . . . 0.0 110.619 -174.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -69.55 -23.99 63.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 0.0 110.426 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -26.73 31.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.469 -0.769 . . . . 0.0 110.276 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.469 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 57.2 t80 -90.52 17.15 7.75 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.463 -0.773 . . . . 0.0 110.971 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -106.52 -29.28 9.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.243 -0.911 . . . . 0.0 110.21 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -97.62 -25.51 15.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.596 -0.69 . . . . 0.0 110.475 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.79 -28.21 40.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.431 -0.793 . . . . 0.0 110.308 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.469 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 28.7 m80 -117.78 82.66 16.88 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.547 -0.721 . . . . 0.0 110.228 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.0 103.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 O-C-N 123.372 1.196 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -127.02 -44.91 0.23 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 178.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.3 90.22 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 56.28 -86.7 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.588 -0.948 . . . . 0.0 110.765 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.19 96.5 7.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.068 -1.02 . . . . 0.0 110.179 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -73.13 -22.95 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.439 -0.788 . . . . 0.0 110.603 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.15 63.57 0.71 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.438 -0.789 . . . . 0.0 110.361 178.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 51.5 25.53 2.75 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.328 -0.857 . . . . 0.0 111.013 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 52.45 53.27 12.59 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.362 -0.836 . . . . 0.0 110.819 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 53.01 -178.21 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.396 -0.815 . . . . 0.0 110.746 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.78 87.41 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.348 -0.845 . . . . 0.0 110.767 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.85 176.95 27.61 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.59 75.89 0.04 OUTLIER Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -158.04 -167.72 2.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.548 -0.972 . . . . 0.0 110.162 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.72 42.62 1.09 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.566 -0.709 . . . . 0.0 110.212 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.415 HG21 ' CD1' ' A' ' 58' ' ' PHE . 3.2 m 52.87 41.14 31.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.411 -0.805 . . . . 0.0 110.8 178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.58 -64.39 1.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.598 -0.689 . . . . 0.0 110.175 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -91.25 78.16 5.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.121 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.415 ' CE1' HD11 ' A' ' 25' ' ' LEU . 1.5 t80 -82.44 -50.17 9.16 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.503 -0.748 . . . . 0.0 110.192 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.88 31.74 2.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.618 -0.676 . . . . 0.0 110.227 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 38.47 -155.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.6 p -117.27 63.83 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.496 -0.753 . . . . 0.0 110.209 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -108.34 -44.76 1.13 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -87.87 145.6 25.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.602 -0.94 . . . . 0.0 110.214 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 98.43 8.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.594 -0.691 . . . . 0.0 110.171 178.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -154.79 166.88 32.07 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.63 -0.669 . . . . 0.0 110.221 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -148.99 -44.97 0.14 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.201 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.62 -70.22 0.56 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.567 -0.708 . . . . 0.0 110.218 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -83.05 -173.45 4.72 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.645 -0.659 . . . . 0.0 110.216 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -150.87 -179.15 7.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.485 -0.759 . . . . 0.0 110.177 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 4.5 tp -81.22 -25.34 36.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.631 -0.668 . . . . 0.0 110.439 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 p -72.06 64.83 0.54 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.498 -0.751 . . . . 0.0 110.04 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -155.23 -46.13 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 110.039 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -100.12 27.26 5.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.585 -0.697 . . . . 0.0 110.105 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -129.61 28.82 5.12 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.56 -0.713 . . . . 0.0 110.034 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.6 mt -110.4 164.55 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.528 -0.732 . . . . 0.0 110.157 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.9 pt -125.44 -34.66 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.573 -0.704 . . . . 0.0 111.066 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.83 -158.58 21.6 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.91 -169.57 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.949 . . . . 0.0 110.225 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 tt -106.36 150.8 25.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.577 -0.702 . . . . 0.0 110.115 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -58.78 110.78 2.89 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.527 -0.733 . . . . 0.0 110.256 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.38 -24.1 26.47 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.15 1.079 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -27.31 64.89 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.521 -0.737 . . . . 0.0 110.502 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.84 -28.16 10.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.466 -0.771 . . . . 0.0 110.348 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -75.74 -41.11 54.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 0.0 110.22 178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -154.38 0.28 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.598 -0.689 . . . . 0.0 110.131 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.78 79.13 1.47 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 109.967 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.3 mp -88.72 48.35 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.308 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.8 18.72 6.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.388 -0.82 . . . . 0.0 110.951 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' N ' ' CD ' ' A' ' 90' ' ' PRO . 16.4 mttt -85.25 -50.19 0.55 Allowed Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.276 -0.89 . . . . 0.0 110.624 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 89' ' ' LYS . 50.0 Cg_exo -51.41 99.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 O-C-N 123.114 1.06 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -167.27 96.44 0.49 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.626 -0.671 . . . . 0.0 110.127 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 56.26 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.684 -0.635 . . . . 0.0 110.815 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 p -123.8 155.86 37.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.098 -1.001 . . . . 0.0 110.175 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.199 178.098 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.108 0.48 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -117.49 -53.82 2.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.561 -0.712 . . . . 0.0 110.217 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.59 37.32 0.06 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.608 -0.682 . . . . 0.0 110.215 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.1 t -143.71 135.3 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.516 -0.74 . . . . 0.0 110.065 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -104.28 145.33 30.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.688 -0.632 . . . . 0.0 109.542 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.78 83.65 5.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.506 -0.747 . . . . 0.0 110.426 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -73.34 135.07 44.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.651 -0.655 . . . . 0.0 109.893 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -74.95 163.64 27.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.529 -0.732 . . . . 0.0 110.358 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' CB ' ' CB ' ' A' ' 83' ' ' ASP . 3.7 tp -78.78 -26.98 44.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.428 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -75.87 -27.69 57.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.482 -0.761 . . . . 0.0 110.371 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 7.1 tt0 -75.13 -39.54 60.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.502 -0.749 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.06 -26.29 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.503 -0.748 . . . . 0.0 110.242 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.12 48.72 1.6 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 110.407 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.79 28.87 0.27 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.448 -0.782 . . . . 0.0 110.096 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 57.6 m-70 -114.65 -167.17 1.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.304 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -143.87 -167.65 2.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.539 -0.726 . . . . 0.0 110.12 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -105.12 -156.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.534 -0.729 . . . . 0.0 110.208 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.38 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.613 -0.68 . . . . 0.0 110.918 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -58.03 -34.41 70.03 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.22 -0.925 . . . . 0.0 110.563 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -168.0 166.66 13.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.506 -0.746 . . . . 0.0 110.26 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -140.96 122.19 14.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.532 -0.73 . . . . 0.0 110.466 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.405 ' CE3' HG12 ' A' ' 29' ' ' VAL . 5.8 m95 -99.39 98.24 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 0.0 109.991 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.1 t -103.43 127.75 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.564 -0.71 . . . . 0.0 110.382 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 40.7 mm -85.78 149.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.544 -0.722 . . . . 0.0 110.132 178.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.44 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -126.0 -76.97 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.557 -0.714 . . . . 0.0 109.633 177.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 15.7 p80 -135.79 91.58 2.72 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.478 -0.764 . . . . 0.0 109.338 174.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 23.3 t-160 55.22 22.02 4.42 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.426 -0.797 . . . . 0.0 110.506 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -127.55 149.82 49.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.384 -0.822 . . . . 0.0 110.013 177.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.405 HG12 ' CE3' ' A' ' 22' ' ' TRP . 48.8 t -111.54 133.75 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.011 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 12.8 m-85 -106.65 136.17 46.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.603 -0.686 . . . . 0.0 111.07 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 19.9 t70 -110.04 84.03 1.86 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.79 44.12 1.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.682 -0.636 . . . . 0.0 110.723 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.0 m -68.93 -31.24 69.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 0.0 109.957 176.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -73.56 -29.09 62.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.573 -0.704 . . . . 0.0 110.042 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -85.03 -27.32 26.46 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.514 -0.742 . . . . 0.0 109.879 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mt -58.44 -35.64 72.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.558 -0.713 . . . . 0.0 110.232 178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.65 23.42 6.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.562 -0.711 . . . . 0.0 110.53 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -106.71 -56.26 2.22 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.463 -0.773 . . . . 0.0 109.976 177.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CE1' ' OE2' ' A' ' 38' ' ' GLU . 52.9 m80 -113.73 91.05 20.06 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.32 92.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 O-C-N 123.433 1.228 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 -60.67 0.82 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.53 -29.97 0.31 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -164.41 -156.41 0.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.601 -0.94 . . . . 0.0 109.95 178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.31 101.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.375 -0.828 . . . . 0.0 110.21 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.4 m -92.1 19.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.554 -0.716 . . . . 0.0 111.005 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mp -102.06 71.88 1.29 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.0 110.094 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 53.53 41.95 32.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.542 -0.724 . . . . 0.0 110.695 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 55.56 -86.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.692 -0.63 . . . . 0.0 110.9 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.52 -63.47 0.06 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.081 -1.012 . . . . 0.0 110.21 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.41 -168.64 2.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.173 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.19 -98.53 0.16 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -146.18 30.63 1.61 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.83 -174.83 2.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.561 -0.964 . . . . 0.0 110.205 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.82 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.4 m 55.2 175.85 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.432 -0.793 . . . . 0.0 110.596 178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -87.14 -41.66 13.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.508 -0.745 . . . . 0.0 110.213 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -82.0 82.2 7.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.507 -0.746 . . . . 0.0 110.113 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 59' ' ' GLU . 37.3 p90 -108.16 -28.58 9.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.559 -0.713 . . . . 0.0 110.305 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 46.9 tt0 -81.46 109.1 15.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.577 -0.702 . . . . 0.0 110.218 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.7 40.87 2.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.54 -0.725 . . . . 0.0 110.245 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.15 -165.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.285 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -43.58 98.59 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.96 110.11 16.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.62 -0.929 . . . . 0.0 110.243 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -83.9 -29.14 27.4 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.614 -0.679 . . . . 0.0 110.201 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -138.13 127.62 24.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 110.257 178.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.97 -60.15 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.532 -0.73 . . . . 0.0 110.182 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.41 -159.39 0.58 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.622 -0.674 . . . . 0.0 110.238 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -150.29 -52.56 0.14 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.58 -0.7 . . . . 0.0 110.168 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -117.68 53.32 0.94 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.577 -0.702 . . . . 0.0 110.306 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -28.71 32.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.587 -0.695 . . . . 0.0 110.278 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 p -82.27 -21.27 36.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.568 -0.707 . . . . 0.0 110.676 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -87.71 -20.44 26.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.404 -0.81 . . . . 0.0 110.997 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 p -99.47 -24.13 14.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.373 -0.829 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -92.19 44.77 1.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 110.484 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 HD12 HG21 ' A' ' 75' ' ' ILE . 51.9 mt -119.25 163.99 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.433 -0.792 . . . . 0.0 110.038 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.402 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 29.5 pt -126.6 -36.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.509 -0.745 . . . . 0.0 111.218 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -172.57 -148.69 6.36 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -133.29 -174.87 3.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.582 -0.952 . . . . 0.0 110.625 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tp -100.53 150.12 23.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.597 -0.689 . . . . 0.0 110.231 177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -72.09 129.09 88.28 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.478 -0.764 . . . . 0.0 109.98 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 -21.25 23.5 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.217 1.114 . . . . 0.0 111.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -49.91 -48.22 51.76 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.298 -0.876 . . . . 0.0 111.486 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' CB ' ' CB ' ' A' ' 9' ' ' LEU . 6.6 m-20 -94.29 -26.99 16.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.458 -0.776 . . . . 0.0 110.423 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.447 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 5.5 ttp85 -61.74 -157.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.456 -0.778 . . . . 0.0 110.041 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -61.57 88.27 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.701 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 47.55 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.554 -0.717 . . . . 0.0 110.197 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.12 -30.0 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.524 -0.735 . . . . 0.0 110.028 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.64 126.14 31.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.509 -0.745 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.88 95.31 5.25 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.526 -0.734 . . . . 0.0 110.237 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.93 152.27 18.22 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 O-C-N 123.437 1.23 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.8 p -112.32 32.54 5.49 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.507 -0.745 . . . . 0.0 110.231 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -157.46 130.96 7.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.543 -0.723 . . . . 0.0 110.311 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 70.3 p -148.43 -64.03 0.25 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.592 -0.693 . . . . 0.0 110.196 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.239 178.072 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 55.7 -86.74 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.717 -0.614 . . . . 0.0 110.892 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -104.17 159.35 15.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 110.2 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.5 t 56.86 166.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.489 0.661 . . . . 0.0 110.735 178.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -137.32 -154.38 0.54 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.737 178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.11 79.58 1.76 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 110.262 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.6 -165.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.633 -0.667 . . . . 0.0 109.987 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -121.43 172.36 8.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.52 -0.737 . . . . 0.0 110.45 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 tp -78.09 -30.7 49.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.651 -0.656 . . . . 0.0 110.188 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.97 -29.13 66.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -80.53 -28.4 37.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.6 mt -90.21 -30.01 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.546 -0.721 . . . . 0.0 109.989 178.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -90.31 48.91 1.61 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.312 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HG3' ' CD2' ' A' ' 15' ' ' HIS . 32.2 pttt -154.4 29.41 0.44 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.725 . . . . 0.0 110.259 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 72.0 m-70 -119.67 30.71 6.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.517 -0.739 . . . . 0.0 110.222 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -94.73 42.89 1.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.176 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -167.86 -41.03 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.575 -0.703 . . . . 0.0 110.176 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -62.87 -159.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.509 -0.745 . . . . 0.0 110.078 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -104.49 -28.68 11.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 0.0 110.316 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -83.57 104.71 13.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 110.247 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.6 t -79.97 118.53 21.8 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.572 -0.705 . . . . 0.0 110.457 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 6.7 m95 -95.33 73.5 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.521 -0.737 . . . . 0.0 109.911 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.2 t -87.35 160.05 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.546 -0.721 . . . . 0.0 110.042 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mt -121.2 144.9 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.548 -0.72 . . . . 0.0 109.897 177.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.409 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -113.43 -73.31 0.67 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.48 -0.763 . . . . 0.0 110.052 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -119.59 81.57 1.74 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.528 -0.732 . . . . 0.0 109.765 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 54.71 22.66 4.24 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.405 -0.809 . . . . 0.0 110.607 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.95 140.05 53.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.465 -0.772 . . . . 0.0 109.811 177.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.6 t -91.14 126.66 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.516 -0.74 . . . . 0.0 109.988 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -107.68 129.78 54.98 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.675 -0.64 . . . . 0.0 111.051 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -102.46 77.73 1.66 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 170.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -84.13 54.62 3.01 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.69 -0.632 . . . . 0.0 110.372 -174.446 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 76.7 p -63.74 -58.43 6.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.357 -0.839 . . . . 0.0 110.322 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -58.54 -20.12 43.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.586 -0.696 . . . . 0.0 110.847 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.493 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 2.4 t80 -71.8 -28.35 63.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.315 -0.866 . . . . 0.0 110.284 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.15 -27.37 66.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.643 -0.66 . . . . 0.0 110.273 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.27 -27.92 14.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.562 -0.711 . . . . 0.0 110.428 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.71 -28.25 33.54 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.507 -0.746 . . . . 0.0 110.357 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 48.3 m80 -122.54 96.71 45.48 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.551 -0.718 . . . . 0.0 110.305 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.97 102.48 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 123.38 1.2 . . . . 0.0 111.009 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.14 -94.29 0.12 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.83 -68.89 0.61 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.25 -28.21 69.0 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.989 . . . . 0.0 110.246 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.58 -54.3 4.35 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.673 . . . . 0.0 110.276 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.6 m -60.49 167.08 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.538 -0.726 . . . . 0.0 110.232 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.421 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 85.0 mt 52.2 -89.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.541 -0.724 . . . . 0.0 111.401 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.13 75.39 3.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.909 -1.12 . . . . 0.0 110.104 177.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.62 -26.23 66.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.577 -0.702 . . . . 0.0 110.344 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.83 -83.5 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.538 -0.726 . . . . 0.0 110.684 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.9 89.06 3.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.215 -0.928 . . . . 0.0 110.177 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.82 102.98 0.51 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.34 142.69 10.24 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.79 -63.53 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.534 -0.98 . . . . 0.0 110.21 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.87 -71.86 0.18 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.594 -0.691 . . . . 0.0 110.119 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -150.19 55.2 0.93 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.582 -0.699 . . . . 0.0 110.255 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -60.79 -162.38 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.504 -0.748 . . . . 0.0 110.076 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -59.44 102.03 0.13 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.387 -0.82 . . . . 0.0 110.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.81 -52.6 64.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.486 -0.759 . . . . 0.0 110.224 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 35' ' ' PHE . 9.4 mp0 -145.36 -72.32 0.25 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.476 -0.765 . . . . 0.0 110.2 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.92 170.03 16.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.513 -0.742 . . . . 0.0 110.301 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.37 150.51 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.621 -0.674 . . . . 0.0 110.311 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 63' ' ' HIS . . . 105.37 123.09 5.15 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' GLY . 29.2 m80 -153.48 -64.5 0.15 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.624 -0.927 . . . . 0.0 110.189 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 m 57.86 -84.64 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 t -59.98 -25.61 65.38 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 0.0 110.497 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.11 87.97 6.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.503 -0.748 . . . . 0.0 110.272 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.6 -38.07 20.36 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.6 -0.687 . . . . 0.0 110.22 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 7.28 24.46 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.578 -0.701 . . . . 0.0 111.031 177.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 53.6 -179.17 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.067 -1.021 . . . . 0.0 110.755 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE2' ' A' ' 35' ' ' PHE . 11.0 mt -90.13 -27.19 19.78 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.582 -0.699 . . . . 0.0 110.385 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 p -71.94 64.49 0.51 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.51 -57.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.518 -0.739 . . . . 0.0 110.182 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -79.78 -18.39 51.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.535 -0.728 . . . . 0.0 110.709 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -94.69 36.52 1.17 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.471 -0.768 . . . . 0.0 110.41 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 HD13 HG23 ' A' ' 75' ' ' ILE . 69.0 mt -112.5 165.71 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.487 -0.758 . . . . 0.0 110.027 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.7 pt -125.74 -35.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.534 -0.729 . . . . 0.0 111.026 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -177.95 -161.14 25.61 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -107.87 -174.99 2.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.955 . . . . 0.0 110.083 177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.3 tt -113.62 144.06 43.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.78 112.17 5.25 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.542 -0.724 . . . . 0.0 110.02 177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.11 -24.67 20.66 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 O-C-N 123.119 1.063 . . . . 0.0 111.212 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -60.76 -28.34 68.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.56 -0.713 . . . . 0.0 110.215 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -93.96 -22.22 18.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.59 -0.694 . . . . 0.0 110.633 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 mmm180 -53.45 -63.18 1.23 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.35 -0.844 . . . . 0.0 110.479 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -69.43 -66.08 0.63 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.584 -0.697 . . . . 0.0 109.572 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -76.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.554 -0.716 . . . . 0.0 109.409 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.9 mm -148.97 -77.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.568 -0.708 . . . . 0.0 109.108 176.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.37 129.15 34.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.521 -0.737 . . . . 0.0 110.175 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -160.72 62.11 1.61 Allowed Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.343 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.94 -175.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.362 0 O-C-N 123.306 1.161 . . . . 0.0 111.032 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -93.46 -158.8 0.64 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.584 -0.698 . . . . 0.0 110.19 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.19 176.52 1.29 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.607 -0.683 . . . . 0.0 110.191 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 m -131.66 -64.59 0.79 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.173 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.106 0.479 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -140.82 29.5 1.89 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.572 -0.705 . . . . 0.0 110.353 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.91 138.7 4.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.592 -0.692 . . . . 0.0 110.193 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 82.3 t 53.79 102.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.49 -0.756 . . . . 0.0 110.649 177.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -154.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.784 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.417 ' CE1' ' HD3' ' A' ' 81' ' ' PRO . 7.6 m-85 -128.35 90.11 3.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.421 ' CE2' HG13 ' A' ' 76' ' ' ILE . 41.2 m-85 -74.78 136.73 41.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.631 -0.668 . . . . 0.0 110.044 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.6 p -79.86 167.49 20.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.69 . . . . 0.0 110.224 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.6 -27.99 51.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.599 -0.688 . . . . 0.0 110.283 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 -28.6 56.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.518 -0.739 . . . . 0.0 110.267 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.43 -34.47 41.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.504 -0.748 . . . . 0.0 110.225 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.2 mt -79.38 -29.18 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.49 -0.756 . . . . 0.0 109.951 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -90.85 20.02 5.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.506 -0.746 . . . . 0.0 110.976 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -136.32 49.1 2.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.333 -0.855 . . . . 0.0 110.25 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.2 m-70 -121.01 65.46 0.86 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.613 -0.679 . . . . 0.0 110.148 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 73.23 0.33 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.561 -0.712 . . . . 0.0 110.263 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -114.24 167.14 10.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.49 -0.756 . . . . 0.0 110.197 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 t -112.93 -32.93 6.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.572 -0.705 . . . . 0.0 110.236 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.59 19.22 10.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.593 -0.692 . . . . 0.0 110.737 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -152.78 152.9 32.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 t -147.16 125.96 12.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 0.0 110.334 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.4 m95 -94.08 82.07 4.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.609 -0.682 . . . . 0.0 110.113 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.2 t -79.63 167.78 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.602 -0.686 . . . . 0.0 109.671 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -137.23 137.66 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.776 . . . . 0.0 109.938 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.408 HD11 ' CE2' ' A' ' 58' ' ' PHE . 1.7 mm? -90.45 -60.56 1.89 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.601 -0.687 . . . . 0.0 109.703 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -152.13 -45.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.657 -0.652 . . . . 0.0 109.506 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 11.9 t-160 -129.65 -41.74 1.33 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.719 -0.613 . . . . 0.0 110.216 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -71.53 137.87 48.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.53 -0.731 . . . . 0.0 110.561 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.7 132.58 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.73 -0.607 . . . . 0.0 109.506 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.423 ' CE2' HG12 ' A' ' 75' ' ' ILE . 19.4 m-85 -103.2 119.98 39.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.574 -0.704 . . . . 0.0 111.13 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' OD1' ' CD1' ' A' ' 22' ' ' TRP . 27.7 t0 -101.16 74.64 1.59 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.5 57.59 3.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.597 -0.689 . . . . 0.0 110.181 -175.255 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -68.31 -25.51 65.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.436 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -79.95 -28.16 39.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.42 ' CD2' HD11 ' A' ' 46' ' ' LEU . 88.0 t80 -79.94 -34.06 39.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.959 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tt -58.73 -32.55 69.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.548 -0.72 . . . . 0.0 110.245 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -96.04 25.08 5.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 0.0 110.359 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -118.18 -51.27 2.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.973 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -119.01 150.17 48.22 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.596 -0.69 . . . . 0.0 109.83 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.42 102.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.315 1.166 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.406 ' CA ' ' CG1' ' A' ' 45' ' ' VAL . . . -158.02 109.74 0.41 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.15 -49.13 74.52 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -171.03 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.435 -1.038 . . . . 0.0 110.789 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.06 72.15 1.66 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.35 -0.844 . . . . 0.0 111.065 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' CG1' ' CA ' ' A' ' 41' ' ' GLY . 26.9 m -114.37 -26.77 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.38 -0.825 . . . . 0.0 110.638 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.42 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -72.45 65.53 0.65 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 110.028 177.359 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.3 mmp_? 52.92 33.57 14.83 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.465 -0.772 . . . . 0.0 110.814 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 52.77 -174.05 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.418 -0.802 . . . . 0.0 110.805 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -146.52 28.29 1.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.619 -0.676 . . . . 0.0 110.303 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.84 -50.51 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.235 178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.22 -30.76 73.82 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.15 126.79 36.97 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -86.59 -29.11 22.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.658 -0.907 . . . . 0.0 110.271 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.41 178.76 7.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.57 -0.706 . . . . 0.0 110.222 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.7 m -86.29 -29.91 22.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.599 -0.688 . . . . 0.0 110.182 178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 56.46 -85.97 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.705 -0.622 . . . . 0.0 110.832 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -120.82 -51.0 2.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.014 -1.054 . . . . 0.0 110.24 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 47' ' ' ARG . 16.3 t80 52.85 96.02 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.437 -0.789 . . . . 0.0 110.782 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -167.82 -179.84 4.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.561 -0.712 . . . . 0.0 110.198 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -108.17 -164.64 0.97 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.57 -0.706 . . . . 0.0 110.241 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.0 p -97.26 28.26 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 110.196 178.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 140.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -162.3 30.08 0.11 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.962 . . . . 0.0 110.338 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -165.59 164.84 19.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 p -101.78 29.39 4.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.238 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.33 -43.29 0.05 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.593 -0.692 . . . . 0.0 110.202 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.58 124.57 30.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.562 -0.711 . . . . 0.0 110.12 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -29.04 8.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.581 -0.7 . . . . 0.0 110.183 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.6 114.12 20.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.551 -0.718 . . . . 0.0 110.224 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 HD13 ' CD1' ' A' ' 35' ' ' PHE . 1.4 pt? -90.23 16.58 8.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 111.01 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -85.76 55.54 3.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.281 -0.887 . . . . 0.0 110.154 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -143.64 -44.81 0.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.8 p -96.37 26.49 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.565 -0.71 . . . . 0.0 110.318 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -128.4 28.37 5.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.442 -0.786 . . . . 0.0 110.132 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 30' ' ' TYR . 66.1 mt -114.8 161.01 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.464 -0.773 . . . . 0.0 110.235 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.421 HG13 ' CE2' ' A' ' 7' ' ' TYR . 35.8 pt -124.17 -33.66 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.584 -0.697 . . . . 0.0 111.094 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.47 -157.99 22.22 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -115.78 177.99 4.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.514 -0.992 . . . . 0.0 110.207 177.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -93.33 170.32 9.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -79.4 127.8 77.43 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.581 -0.699 . . . . 0.0 110.181 178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HD3' ' CE1' ' A' ' 6' ' ' TYR . 50.6 Cg_exo -53.48 -23.51 25.02 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.109 1.057 . . . . 0.0 111.256 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.12 -60.04 4.19 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.414 -0.804 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -79.89 -35.95 37.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.437 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.442 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 7.5 ttt-85 -61.14 -41.78 97.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.644 -0.66 . . . . 0.0 110.212 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -89.97 -27.19 19.95 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.583 -0.698 . . . . 0.0 110.325 177.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.6 tttm 53.65 77.33 0.18 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.334 -0.854 . . . . 0.0 110.693 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.477 HD12 HG21 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -146.95 38.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.631 -0.668 . . . . 0.0 110.178 177.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.68 0.11 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.638 -0.664 . . . . 0.0 110.186 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -166.98 62.95 0.69 Allowed Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.573 -0.704 . . . . 0.0 110.215 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.89 172.03 0.2 Allowed 'Trans proline' 0 N--CA 1.491 1.345 0 O-C-N 123.342 1.18 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -140.26 -159.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.549 -0.72 . . . . 0.0 110.204 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -131.97 -170.98 2.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.504 -0.747 . . . . 0.0 110.158 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.5 m -82.2 -36.29 27.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.466 -0.771 . . . . 0.0 110.187 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.203 178.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.073 0.463 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.05 140.87 57.75 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.621 -0.674 . . . . 0.0 110.313 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.33 142.94 4.96 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.668 -0.645 . . . . 0.0 110.194 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 72.3 t 53.66 102.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 110.682 178.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' HE3' ' CE1' ' A' ' 7' ' ' TYR . 16.2 ttpp -83.44 149.86 26.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -79.89 87.75 5.32 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.327 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' CE1' ' HE3' ' A' ' 5' ' ' LYS . 31.3 m-85 -61.63 -168.32 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.637 . . . . 0.0 110.014 177.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.8 p -118.8 155.9 30.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.525 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.56 -25.33 57.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.713 -0.617 . . . . 0.0 110.596 178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.27 -23.66 43.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.451 -0.781 . . . . 0.0 110.774 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -86.15 -26.89 24.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.609 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -74.62 -54.69 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.453 -0.779 . . . . 0.0 110.226 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -90.01 48.66 1.6 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.503 -0.748 . . . . 0.0 110.653 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -164.95 55.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.536 -0.728 . . . . 0.0 110.234 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -101.72 119.2 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.593 -0.692 . . . . 0.0 110.243 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -107.15 28.76 7.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.606 -0.684 . . . . 0.0 110.337 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -95.37 -27.23 15.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.694 . . . . 0.0 110.351 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.9 t 53.37 27.31 6.16 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.343 -0.848 . . . . 0.0 110.709 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -116.93 -37.37 3.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.531 -0.73 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -111.16 -175.54 2.73 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.171 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -140.24 122.77 16.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.518 -0.739 . . . . 0.0 110.291 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -100.47 77.68 1.95 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.548 -0.72 . . . . 0.0 110.09 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 57.7 t -85.0 151.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.571 -0.705 . . . . 0.0 110.014 178.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -120.13 137.29 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 177.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm? -109.05 -74.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.509 -0.744 . . . . 0.0 110.034 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 13.2 p80 -122.38 82.88 2.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 109.792 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 55.07 22.42 4.48 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.33 -0.856 . . . . 0.0 110.549 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -122.4 134.18 54.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.474 -0.766 . . . . 0.0 109.793 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.8 t -90.46 128.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.594 -0.691 . . . . 0.0 109.768 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.431 ' CE1' HG12 ' A' ' 75' ' ' ILE . 14.7 m-30 -107.2 137.1 45.89 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.518 -0.739 . . . . 0.0 110.673 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -105.25 77.85 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.34 45.2 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.642 -0.661 . . . . 0.0 110.147 -175.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -67.84 -26.65 66.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.464 -0.773 . . . . 0.0 110.395 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -80.13 -28.9 38.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.006 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.411 ' CD1' HD21 ' A' ' 70' ' ' LEU . 81.1 t80 -72.62 -29.62 63.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.649 -0.657 . . . . 0.0 109.977 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.54 -29.27 69.88 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 177.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.42 -27.75 19.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.594 -0.691 . . . . 0.0 110.325 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.95 -31.13 39.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 110.147 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -112.36 94.74 28.17 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.139 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.95 91.36 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 O-C-N 123.428 1.225 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -123.29 -42.99 0.37 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.96 -53.93 0.78 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -164.01 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.605 -0.938 . . . . 0.0 110.031 177.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -84.13 92.81 8.0 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.601 -0.687 . . . . 0.0 110.16 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.7 m -104.69 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 110.512 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.41 HD11 ' CD2' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -74.61 71.53 1.89 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.461 -0.774 . . . . 0.0 110.147 177.796 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 52.84 98.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.329 -0.857 . . . . 0.0 110.78 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.56 159.84 12.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -139.91 126.97 20.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.552 -0.717 . . . . 0.0 110.251 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.24 29.17 1.18 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.535 -0.728 . . . . 0.0 110.142 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.87 85.95 0.06 OUTLIER Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.44 156.6 7.68 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.74 36.09 2.64 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.59 -0.947 . . . . 0.0 110.278 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.72 148.76 44.94 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.647 -0.658 . . . . 0.0 110.206 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -116.08 98.28 6.54 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.65 -46.39 13.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.595 -0.691 . . . . 0.0 110.201 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -108.1 123.49 48.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.646 -0.659 . . . . 0.0 110.244 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -84.07 -159.14 0.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.182 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -79.93 -28.93 39.66 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.215 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.48 -29.1 70.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.59 -0.694 . . . . 0.0 110.118 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -119.95 144.86 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.87 -34.32 2.41 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.44 -28.84 31.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.633 -0.922 . . . . 0.0 110.182 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t 52.94 46.49 26.66 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.399 -0.813 . . . . 0.0 110.794 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.3 t -168.76 -39.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.571 -0.705 . . . . 0.0 110.414 177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -135.98 157.4 46.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.527 -0.733 . . . . 0.0 110.229 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.58 -61.06 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.578 -0.701 . . . . 0.0 110.204 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.32 -86.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.638 -0.664 . . . . 0.0 110.852 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 52.86 50.41 18.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.949 -1.095 . . . . 0.0 110.752 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -90.11 54.26 2.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.52 -0.737 . . . . 0.0 110.327 177.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.9 p -99.33 -26.76 14.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.593 -0.692 . . . . 0.0 110.303 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -81.83 -22.81 36.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 110.858 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.8 t -93.04 -23.05 18.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.935 179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -99.48 51.39 0.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.428 -0.795 . . . . 0.0 110.411 -178.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.431 HG12 ' CE1' ' A' ' 30' ' ' TYR . 49.9 mt -116.05 166.85 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.507 -0.745 . . . . 0.0 110.362 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 77' ' ' GLY . 28.8 pt -130.6 -36.96 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.622 -0.674 . . . . 0.0 110.919 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.404 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.16 -152.19 9.71 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -125.23 -174.7 3.12 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.504 -0.998 . . . . 0.0 110.426 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.6 tt -103.5 158.14 16.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.633 -0.667 . . . . 0.0 110.123 176.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -78.55 114.24 41.51 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.598 -0.688 . . . . 0.0 110.162 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.81 -24.11 22.77 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 O-C-N 123.171 1.09 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.71 -25.57 63.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.548 -0.72 . . . . 0.0 110.638 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -108.24 -28.51 9.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 110.266 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -65.52 0.68 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.857 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -71.26 -150.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.6 -0.687 . . . . 0.0 109.324 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 -79.59 0.46 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.925 . . . . 0.0 109.529 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.7 mm -133.49 70.64 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.475 -0.766 . . . . 0.0 109.86 177.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.23 63.1 1.31 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.128 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.6 84.99 6.84 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.559 -0.713 . . . . 0.0 110.152 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.9 -63.23 0.26 Allowed 'Trans proline' 0 N--CA 1.492 1.423 0 O-C-N 123.482 1.254 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t 52.6 80.85 0.09 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.395 -0.815 . . . . 0.0 110.821 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.73 -62.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.534 -0.729 . . . . 0.0 110.242 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 p -99.06 -170.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.569 -0.707 . . . . 0.0 110.259 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.28 177.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.115 0.483 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -160.77 139.46 10.15 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.527 -0.733 . . . . 0.0 110.198 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 52.86 -159.57 0.13 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.373 -0.829 . . . . 0.0 110.721 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 70.9 t -83.89 139.89 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.079 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HD3' ' CZ ' ' A' ' 7' ' ' TYR . 14.9 ptmt -116.53 -161.92 0.82 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.695 -0.628 . . . . 0.0 109.735 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD1' ' HD3' ' A' ' 81' ' ' PRO . 21.9 m-85 -122.34 86.91 2.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.509 -0.745 . . . . 0.0 110.337 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.42 ' CZ ' ' HD3' ' A' ' 5' ' ' LYS . 33.8 m-85 -61.63 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.612 -0.68 . . . . 0.0 110.128 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 73.0 p -119.16 159.68 23.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.568 -0.707 . . . . 0.0 110.27 177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.8 tp -80.76 -27.12 36.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.528 -0.732 . . . . 0.0 110.424 178.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.79 -27.99 61.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.505 -0.747 . . . . 0.0 110.292 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -81.57 -41.48 21.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.564 -0.71 . . . . 0.0 110.397 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 59.9 mt -64.96 -26.27 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.559 -0.713 . . . . 0.0 110.132 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.07 23.44 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.461 -0.774 . . . . 0.0 111.011 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -166.81 73.59 0.14 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 110.264 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 28.1 m-70 -110.94 140.28 45.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.516 -0.74 . . . . 0.0 110.256 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -148.38 75.55 1.33 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.556 -0.715 . . . . 0.0 110.092 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -117.43 -144.07 0.38 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.479 -0.763 . . . . 0.0 110.147 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -71.34 63.54 0.37 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.296 -0.878 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 52.41 22.83 2.22 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.244 -0.91 . . . . 0.0 111.484 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t -63.93 178.58 0.62 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.437 -0.789 . . . . 0.0 110.116 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -140.82 119.75 12.68 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.519 -0.738 . . . . 0.0 110.299 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.5 m95 -93.65 84.59 4.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.499 -0.75 . . . . 0.0 110.078 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.52 167.6 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.579 -0.701 . . . . 0.0 109.416 177.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -132.7 137.25 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.519 -0.738 . . . . 0.0 110.377 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -101.01 -152.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.698 -0.626 . . . . 0.0 109.358 176.423 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.21 -23.47 8.67 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.321 -0.862 . . . . 0.0 110.897 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 22.2 t-160 -168.21 -38.87 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.803 . . . . 0.0 110.796 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -66.14 144.16 56.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.726 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.4 t -95.02 140.06 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.504 -0.747 . . . . 0.0 109.529 175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.436 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 10.1 m-85 -112.42 124.63 52.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.0 111.193 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.406 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 20.5 t70 -104.05 78.89 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.09 53.55 2.78 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.687 -0.633 . . . . 0.0 110.493 -175.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.9 t -69.79 -24.88 63.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.378 -0.826 . . . . 0.0 110.435 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -81.16 -25.87 36.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.422 -0.798 . . . . 0.0 110.468 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 35.6 t80 -88.73 -32.21 18.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.269 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.6 tt -60.61 -26.22 66.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.6 -0.688 . . . . 0.0 110.406 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.34 -22.99 14.89 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.449 -0.782 . . . . 0.0 110.701 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -79.71 -28.02 40.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.355 -0.84 . . . . 0.0 110.291 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 51.1 m80 -127.31 82.28 68.49 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.523 -0.736 . . . . 0.0 110.232 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.03 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.36 0 O-C-N 123.369 1.194 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.5 -34.32 2.11 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.84 78.69 0.25 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 55.81 -86.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.699 -0.883 . . . . 0.0 110.903 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 73.42 0.33 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.132 -0.98 . . . . 0.0 110.315 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.1 m -75.43 -20.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.54 -0.725 . . . . 0.0 110.84 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.5 mp -95.74 36.0 1.32 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.344 -0.848 . . . . 0.0 110.404 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 51.93 52.82 13.69 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.353 -0.842 . . . . 0.0 110.882 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 53.11 -156.81 0.17 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.411 -0.805 . . . . 0.0 110.707 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.14 171.48 14.02 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.513 -0.742 . . . . 0.0 110.304 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.3 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.398 -0.814 . . . . 0.0 110.752 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.99 -162.91 30.69 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.41 -166.14 26.38 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.18 134.09 37.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.572 -0.958 . . . . 0.0 110.163 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.78 -175.83 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.48 -0.762 . . . . 0.0 110.833 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -143.92 53.6 1.3 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.547 -0.721 . . . . 0.0 110.298 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.62 150.78 27.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.542 -0.724 . . . . 0.0 110.244 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.89 58.06 5.72 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.439 -0.788 . . . . 0.0 110.716 178.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -123.31 -165.39 1.32 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.467 -0.771 . . . . 0.0 110.256 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 56.6 -85.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.575 -0.703 . . . . 0.0 110.783 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -110.82 137.37 48.55 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 10.1 p -157.83 28.28 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 110.115 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 57.77 0.09 OUTLIER Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -127.23 30.37 5.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.572 -0.958 . . . . 0.0 110.239 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m 52.78 27.68 5.6 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.426 -0.796 . . . . 0.0 110.785 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.8 t -168.07 175.59 6.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.605 -0.684 . . . . 0.0 110.27 178.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -167.37 47.97 0.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.222 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.5 125.16 34.15 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.612 -0.68 . . . . 0.0 110.232 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 52.8 -168.07 0.05 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.368 -0.832 . . . . 0.0 110.801 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -135.12 157.42 46.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -83.78 -25.61 30.31 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.549 -0.719 . . . . 0.0 110.388 177.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -71.62 66.25 0.51 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.507 -0.746 . . . . 0.0 110.182 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -159.61 -49.3 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 110.204 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -96.68 26.31 4.58 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.52 -0.737 . . . . 0.0 110.379 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -133.36 33.62 3.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.417 -0.802 . . . . 0.0 110.02 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.424 HG12 ' CE2' ' A' ' 30' ' ' TYR . 54.2 mt -112.46 158.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.575 -0.703 . . . . 0.0 109.949 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.406 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 38.7 pt -120.48 -32.52 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.547 -0.72 . . . . 0.0 110.9 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.3 11.66 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -124.22 178.88 5.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.512 -0.993 . . . . 0.0 110.047 177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.9 tt -98.54 152.03 20.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.569 -0.707 . . . . 0.0 110.126 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -60.21 124.06 75.91 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.668 -0.645 . . . . 0.0 110.317 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 50.0 Cg_exo -53.16 -23.73 23.62 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 O-C-N 123.04 1.021 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.31 -39.62 79.85 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.441 -0.787 . . . . 0.0 110.482 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -95.33 -25.98 16.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.552 -0.718 . . . . 0.0 110.338 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 5.8 tpm_? -86.82 -67.06 0.84 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.266 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -90.17 -169.68 2.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 37.19 52.37 1.15 Allowed 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.1 mm -79.69 -29.14 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.972 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.82 159.9 18.23 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.649 -0.657 . . . . 0.0 110.132 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.11 87.76 55.53 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.518 -0.739 . . . . 0.0 110.281 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.17 -175.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 O-C-N 123.509 1.268 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.4 p -83.43 -160.13 0.4 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.607 -0.683 . . . . 0.0 110.181 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -97.04 -62.36 1.27 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.564 -0.71 . . . . 0.0 110.159 178.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 36.4 p -151.77 -71.81 0.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 110.264 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.239 178.014 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.114 0.483 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -87.28 174.86 8.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.514 -0.741 . . . . 0.0 110.217 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -95.18 158.23 15.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.58 -0.7 . . . . 0.0 110.176 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 89.7 t -82.27 144.81 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.554 -0.716 . . . . 0.0 110.126 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -114.24 145.59 41.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.686 -0.634 . . . . 0.0 109.656 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -79.84 85.78 5.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.497 -0.752 . . . . 0.0 110.211 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.428 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 29.6 m-85 -61.92 -164.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.623 -0.673 . . . . 0.0 110.044 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -135.42 -177.03 4.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.491 -0.755 . . . . 0.0 110.339 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 mp -84.94 -49.14 8.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.621 -0.674 . . . . 0.0 110.282 178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -26.96 66.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.627 -0.67 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.83 -43.79 29.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.513 -0.742 . . . . 0.0 110.407 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.4 mt -79.25 -23.05 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.542 -0.724 . . . . 0.0 110.413 178.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.53 19.6 5.19 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.345 -0.847 . . . . 0.0 111.015 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -122.94 28.42 7.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.304 -0.873 . . . . 0.0 110.158 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.64 97.79 7.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.558 -0.714 . . . . 0.0 110.175 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -74.23 -29.33 61.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.556 -0.715 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -167.85 -64.35 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.64 -0.662 . . . . 0.0 110.179 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p 49.97 26.46 2.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.521 -0.737 . . . . 0.0 111.118 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.41 -67.1 0.16 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.54 -0.725 . . . . 0.0 110.711 178.026 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 p -60.54 -171.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.371 -0.83 . . . . 0.0 110.328 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 t -144.95 124.29 13.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.64 -0.663 . . . . 0.0 110.379 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -98.86 75.91 2.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 110.225 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.57 133.35 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.471 -0.768 . . . . 0.0 109.943 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 mt -104.41 137.9 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.532 -0.73 . . . . 0.0 109.837 177.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD22 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -91.15 -77.37 0.42 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.624 -0.673 . . . . 0.0 109.894 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -128.84 -41.46 1.47 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.768 . . . . 0.0 110.1 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.414 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 23.4 t-160 -150.22 22.17 0.85 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 176.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -126.37 144.21 50.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.811 . . . . 0.0 110.304 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 49.7 t -100.36 119.59 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.61 -0.681 . . . . 0.0 109.644 177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.42 ' CE1' HD22 ' A' ' 25' ' ' LEU . 25.9 m-85 -100.51 130.39 46.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 110.982 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -102.82 78.98 1.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 170.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 mp -90.58 46.08 1.31 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.642 -0.662 . . . . 0.0 110.488 -174.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -69.16 -24.54 64.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.486 -0.759 . . . . 0.0 110.406 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -81.92 -27.86 33.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.124 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CD1' HD12 ' A' ' 46' ' ' LEU . 26.8 t80 -76.38 -29.78 57.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.49 -0.756 . . . . 0.0 109.887 177.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.26 -30.74 70.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.594 -0.691 . . . . 0.0 110.168 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -111.6 25.29 11.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.564 -0.71 . . . . 0.0 110.613 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.29 -40.96 5.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.539 -0.726 . . . . 0.0 110.11 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -120.67 81.82 33.25 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.572 -0.705 . . . . 0.0 110.169 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.74 92.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.376 1.198 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.14 40.91 0.05 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.01 125.86 2.52 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -95.03 -29.09 14.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.99 . . . . 0.0 110.275 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -100.2 54.08 0.9 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.58 -0.7 . . . . 0.0 110.323 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.62 24.59 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.506 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.445 ' N ' ' CD2' ' A' ' 46' ' ' LEU . 3.9 mm? -86.05 -29.36 23.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.439 -0.788 . . . . 0.0 109.883 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.1 ttt85 -152.68 -64.54 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.542 -0.724 . . . . 0.0 110.211 177.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -168.11 169.51 11.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.514 -0.741 . . . . 0.0 110.232 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -163.23 52.99 0.17 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 110.224 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -166.79 -64.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.33 138.39 4.97 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.43 155.98 7.48 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -168.27 -164.71 0.55 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.609 -0.936 . . . . 0.0 110.238 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.01 58.33 5.43 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.426 -0.796 . . . . 0.0 110.793 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p 44.32 95.3 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.788 -0.57 . . . . 0.0 111.76 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.93 -57.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.517 -0.739 . . . . 0.0 110.199 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -108.76 -27.92 9.5 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.529 -0.732 . . . . 0.0 110.313 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 53.16 -177.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.37 -0.831 . . . . 0.0 110.674 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.03 -164.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.433 -0.792 . . . . 0.0 110.357 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 50.25 85.62 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.461 -0.775 . . . . 0.0 110.861 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.41 138.13 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.63 -0.669 . . . . 0.0 110.213 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.52 2.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -113.53 148.51 35.93 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.583 -0.951 . . . . 0.0 110.254 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.6 44.14 0.93 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.627 -0.671 . . . . 0.0 110.215 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 m -81.23 -29.68 34.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.168 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.16 122.57 32.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.214 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.8 81.35 7.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.586 -0.697 . . . . 0.0 110.145 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -153.39 131.46 11.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.546 -0.721 . . . . 0.0 110.187 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -100.4 123.52 44.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.521 -0.737 . . . . 0.0 110.241 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.14 49.55 1.64 Allowed 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.481 176.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.2 p -96.42 27.74 3.64 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.515 -0.741 . . . . 0.0 110.264 177.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -120.77 -42.86 2.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 110.077 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.0 p -97.41 28.03 3.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.509 -0.745 . . . . 0.0 110.204 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.22 28.4 2.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.564 -0.71 . . . . 0.0 110.099 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.432 HG23 HD11 ' A' ' 75' ' ' ILE . 76.1 mt -116.65 158.58 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.49 -0.756 . . . . 0.0 110.408 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.0 pt -117.14 -24.83 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.681 -0.637 . . . . 0.0 110.829 179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 7' ' ' TYR . . . 177.0 -152.73 12.53 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -133.19 -171.01 2.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.967 . . . . 0.0 110.206 177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.8 tp -106.55 159.11 16.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.703 . . . . 0.0 110.038 177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.44 119.25 76.52 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.537 -0.727 . . . . 0.0 110.032 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.97 -23.76 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 O-C-N 123.076 1.04 . . . . 0.0 111.184 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -57.71 -53.35 59.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.396 -0.815 . . . . 0.0 110.653 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -80.64 -39.27 27.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 5.1 ttt-85 -61.37 -44.61 96.87 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.589 -0.694 . . . . 0.0 110.248 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -89.43 -156.35 0.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.537 -0.727 . . . . 0.0 110.221 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.94 76.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.557 -0.714 . . . . 0.0 110.104 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.5 mp -90.11 50.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.576 -0.703 . . . . 0.0 109.934 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.27 56.76 3.9 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.551 -0.718 . . . . 0.0 110.088 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -139.47 174.39 4.15 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.435 -0.791 . . . . 0.0 110.151 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.58 -33.04 56.58 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 O-C-N 123.408 1.215 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m 52.78 51.68 15.49 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.341 -0.85 . . . . 0.0 110.741 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.14 177.17 4.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 110.28 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -79.96 -23.53 41.59 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.569 -0.707 . . . . 0.0 110.585 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.184 178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.102 0.477 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.42 -164.29 0.58 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.565 -0.71 . . . . 0.0 110.26 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 45.35 1.17 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.625 -0.672 . . . . 0.0 110.242 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.6 t -150.03 123.6 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.611 -0.681 . . . . 0.0 110.023 178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -116.3 155.02 29.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.616 -0.678 . . . . 0.0 109.845 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.96 93.26 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.526 -0.734 . . . . 0.0 110.433 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -69.96 -168.9 0.23 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.701 -0.624 . . . . 0.0 109.906 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.7 p -126.23 154.1 43.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.718 . . . . 0.0 110.347 177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -67.53 -27.32 66.87 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -73.71 -26.8 60.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.516 -0.74 . . . . 0.0 110.567 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.78 -27.63 33.65 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.484 -0.76 . . . . 0.0 110.477 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.47 -25.61 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.598 -0.688 . . . . 0.0 110.342 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.29 48.32 1.54 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -169.42 52.34 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.51 -0.743 . . . . 0.0 110.31 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 31.7 m-70 -122.43 102.44 8.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.616 -0.678 . . . . 0.0 110.281 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -168.85 53.73 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.504 -0.747 . . . . 0.0 110.19 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -136.56 -44.3 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.555 -0.715 . . . . 0.0 110.321 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -96.94 30.85 2.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.342 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt 54.08 22.2 3.37 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 111.113 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -89.57 170.4 10.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.442 -0.787 . . . . 0.0 110.104 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -144.28 117.96 9.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.539 -0.725 . . . . 0.0 110.408 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 4.7 m0 -92.03 81.4 5.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.564 -0.71 . . . . 0.0 110.103 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.7 168.65 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.567 -0.708 . . . . 0.0 109.454 177.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -136.8 136.22 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.392 -0.817 . . . . 0.0 110.562 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 4.6 mm? -110.43 77.56 1.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 14.5 m-70 55.84 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.529 -0.732 . . . . 0.0 110.098 -177.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 67.88 -62.59 0.34 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.659 -0.65 . . . . 0.0 110.938 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.3 mttp -57.14 136.86 56.41 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.326 -0.859 . . . . 0.0 110.888 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.9 t -105.81 148.34 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.486 -0.759 . . . . 0.0 109.832 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.435 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.4 m-85 -120.75 136.79 54.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.639 -0.663 . . . . 0.0 111.448 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -106.33 91.01 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.04 14.13 8.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.604 -0.685 . . . . 0.0 111.472 -173.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.4 t -60.72 -27.16 67.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.169 -0.957 . . . . 0.0 109.988 175.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' CD ' ' CD2' ' A' ' 74' ' ' TYR . 14.0 ptpt -84.17 -23.98 30.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 110.138 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.423 ' CE1' ' HB2' ' A' ' 39' ' ' HIS . 22.4 t80 -81.76 -33.49 30.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.396 -0.815 . . . . 0.0 109.902 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.57 -27.36 64.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.326 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.26 -19.96 19.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.585 -0.697 . . . . 0.0 110.665 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -79.73 -48.5 13.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.381 -0.824 . . . . 0.0 110.339 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 29.1 m80 -115.61 84.75 12.8 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.537 -0.727 . . . . 0.0 110.197 178.14 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 91.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.392 1.207 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.56 -64.61 0.35 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.88 32.5 84.09 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.27 -74.06 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.607 -0.937 . . . . 0.0 110.343 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -100.11 88.33 3.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 0.0 110.519 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.7 p -167.82 132.44 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.555 -0.715 . . . . 0.0 110.05 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 mt 45.67 -162.83 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.592 -0.692 . . . . 0.0 111.504 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -80.79 58.75 3.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 110.284 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.81 172.94 12.3 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.411 -0.806 . . . . 0.0 110.118 177.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.94 107.19 14.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.568 -0.708 . . . . 0.0 110.212 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.98 -166.78 1.5 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.533 -0.729 . . . . 0.0 110.141 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 168.78 50.02 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.62 169.72 46.18 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -161.62 79.12 0.56 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.639 -0.918 . . . . 0.0 110.21 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.38 32.19 0.06 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.528 -0.732 . . . . 0.0 110.178 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p 45.28 -91.19 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.954 -0.467 . . . . 0.0 111.759 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 55.36 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.964 -1.085 . . . . 0.0 110.636 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.21 96.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.358 -0.839 . . . . 0.0 110.887 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.59 -71.21 0.75 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.58 -0.7 . . . . 0.0 110.314 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -107.31 -22.05 12.73 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.652 -0.655 . . . . 0.0 110.73 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.8 -27.8 60.43 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.247 -0.908 . . . . 0.0 110.511 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.06 121.63 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.588 -0.695 . . . . 0.0 110.035 177.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.77 169.05 13.1 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -163.71 0.57 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.555 -0.968 . . . . 0.0 110.389 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t 53.28 -159.53 0.14 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.423 -0.798 . . . . 0.0 110.771 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.6 p -123.56 -165.0 1.28 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.586 -0.696 . . . . 0.0 110.274 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -118.5 141.99 48.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.567 -0.708 . . . . 0.0 110.351 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -38.61 14.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.594 -0.691 . . . . 0.0 110.175 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -161.07 -64.9 0.06 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -167.57 120.21 0.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.629 -0.669 . . . . 0.0 110.162 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 74' ' ' TYR . 2.1 tt -81.97 -26.22 34.12 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.302 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 p -71.73 64.93 0.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 110.155 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -54.98 0.09 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.542 -0.724 . . . . 0.0 109.875 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.6 p -79.55 -14.28 58.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.538 -0.726 . . . . 0.0 110.799 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.454 ' CD2' ' CD ' ' A' ' 34' ' ' LYS . 12.1 m-85 -93.6 22.88 5.03 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.427 HG12 ' CZ ' ' A' ' 30' ' ' TYR . 51.7 mt -107.65 153.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.298 -0.877 . . . . 0.0 109.798 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.3 pt -108.44 -25.99 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.538 -0.726 . . . . 0.0 110.779 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.18 -159.56 32.71 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -111.45 -179.04 3.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.933 . . . . 0.0 110.132 177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.1 tt -106.65 152.31 23.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.553 -0.717 . . . . 0.0 110.149 177.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.65 111.57 4.29 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.54 -0.725 . . . . 0.0 110.104 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.25 -23.78 24.44 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 O-C-N 123.131 1.069 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.5 -26.53 63.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.413 -0.805 . . . . 0.0 110.626 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -112.1 -25.09 9.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.457 -0.777 . . . . 0.0 110.554 178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -58.62 -46.1 87.78 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.351 -0.843 . . . . 0.0 110.3 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -90.1 -155.06 0.35 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.566 -0.709 . . . . 0.0 110.044 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -118.15 63.13 0.76 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.45 -0.781 . . . . 0.0 109.831 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 pp -145.86 29.7 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.592 -0.693 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.89 64.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.546 -0.721 . . . . 0.0 110.147 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.62 175.8 2.71 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.521 -0.737 . . . . 0.0 110.117 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.73 -29.18 41.0 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 O-C-N 123.441 1.232 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 m 52.81 -159.31 0.13 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.362 -0.836 . . . . 0.0 110.855 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 56.6 -85.88 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.694 -0.629 . . . . 0.0 110.79 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -80.16 -28.97 38.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.166 -0.959 . . . . 0.0 110.18 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.5 tt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.224 178.03 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.081 0.467 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -109.31 31.83 5.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.567 -0.708 . . . . 0.0 110.362 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -141.06 -177.59 5.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.603 -0.686 . . . . 0.0 110.147 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.75 128.68 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.494 -0.754 . . . . 0.0 110.187 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.423 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 11.2 ptpt -112.65 -157.45 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.729 -0.607 . . . . 0.0 109.435 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -120.94 91.39 3.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 0.0 110.344 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.423 ' CE1' ' HD2' ' A' ' 5' ' ' LYS . 27.7 m-85 -61.16 171.7 1.25 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 109.957 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.3 p -110.03 146.51 35.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.54 -0.725 . . . . 0.0 110.009 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -55.02 -22.92 17.23 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.466 -0.772 . . . . 0.0 110.872 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -85.46 -27.29 25.78 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.415 -0.803 . . . . 0.0 110.445 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.4 -31.1 26.86 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.475 -0.766 . . . . 0.0 110.223 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 12' ' ' ILE . 50.8 mm -77.11 -28.73 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 109.896 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -90.28 48.76 1.6 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -163.59 63.95 0.17 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.478 -0.764 . . . . 0.0 110.452 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 22.8 m-70 -145.26 152.84 40.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.54 -0.725 . . . . 0.0 110.252 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.64 143.84 53.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.55 -27.34 8.62 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.421 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -70.49 -39.45 74.18 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.514 -0.741 . . . . 0.0 110.259 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -84.82 -50.27 7.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.552 -0.717 . . . . 0.0 110.25 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.7 m -121.48 -170.52 2.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.628 -0.67 . . . . 0.0 110.151 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -154.44 121.22 5.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.493 -0.755 . . . . 0.0 110.349 178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.5 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 7.5 m0 -101.52 73.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.584 -0.698 . . . . 0.0 110.075 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.5 t -79.73 138.14 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.604 -0.685 . . . . 0.0 109.834 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -98.98 137.55 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.58 -0.7 . . . . 0.0 109.88 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' CD2' ' CZ ' ' A' ' 58' ' ' PHE . 2.1 tp -145.95 123.84 12.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.63 -0.669 . . . . 0.0 109.774 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 53.61 57.62 5.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.41 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 14.2 t-160 55.42 21.24 4.14 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.403 -0.81 . . . . 0.0 111.098 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -122.01 149.98 42.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.071 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.7 t -104.09 126.58 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.499 -0.751 . . . . 0.0 109.654 178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.417 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -102.88 131.54 49.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.546 -0.721 . . . . 0.0 111.051 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 28.0 t70 -105.28 78.4 1.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 170.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.58 49.43 1.79 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.57 -0.706 . . . . 0.0 110.499 -175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 m -68.26 -42.11 80.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.382 -0.824 . . . . 0.0 109.949 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.83 -28.66 69.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.574 -0.704 . . . . 0.0 110.015 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 53.8 t80 -81.02 -30.22 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.497 -0.752 . . . . 0.0 109.864 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 mt -61.01 -38.57 86.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.667 -0.646 . . . . 0.0 110.093 178.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.17 -23.99 28.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.669 -0.644 . . . . 0.0 110.552 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.62 -28.96 40.94 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.463 -0.773 . . . . 0.0 110.188 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.453 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 7.8 m80 -122.41 86.68 48.45 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.061 177.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.53 92.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 O-C-N 123.38 1.2 . . . . 0.0 111.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.78 -45.81 0.69 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -116.37 1.34 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.33 -155.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.496 -1.002 . . . . 0.0 109.912 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -59.97 103.61 0.23 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.404 -0.81 . . . . 0.0 110.168 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG22 ' CE2' ' A' ' 35' ' ' PHE . 35.3 m -64.81 -126.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.668 -0.645 . . . . 0.0 110.338 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.8 mp 55.93 102.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.444 -1.41 . . . . 0.0 110.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 54.35 21.7 3.34 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.603 -0.686 . . . . 0.0 111.325 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 49.26 26.65 1.6 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.21 -0.931 . . . . 0.0 111.203 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 53.07 50.78 17.1 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.426 -0.796 . . . . 0.0 110.813 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.65 -159.46 0.59 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.646 -0.659 . . . . 0.0 110.155 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.84 107.55 0.33 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.24 87.22 0.07 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 53.13 98.99 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -1.027 . . . . 0.0 110.845 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.3 124.72 28.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.508 -0.745 . . . . 0.0 110.168 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.407 ' O ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -154.89 -158.25 0.83 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.556 -0.715 . . . . 0.0 109.746 178.211 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -83.22 -23.55 32.75 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.486 -0.759 . . . . 0.0 110.56 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -61.51 -20.23 62.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.427 -0.796 . . . . 0.0 110.857 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' CZ ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.94 -157.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.281 -0.887 . . . . 0.0 110.531 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 53.19 98.49 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.36 -0.838 . . . . 0.0 110.667 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -77.7 -28.98 51.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.581 -0.7 . . . . 0.0 110.184 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -139.55 143.94 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.629 -0.669 . . . . 0.0 110.157 178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.92 -60.56 0.02 OUTLIER Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -147.32 178.66 8.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.585 -0.95 . . . . 0.0 110.174 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -113.0 36.55 3.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -121.6 168.37 11.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.571 -0.706 . . . . 0.0 110.249 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.05 30.28 7.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.517 -0.74 . . . . 0.0 110.21 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.82 -71.12 0.52 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.604 -0.685 . . . . 0.0 110.286 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -144.49 -173.6 4.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 110.265 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -82.27 174.91 10.71 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.593 -0.692 . . . . 0.0 110.219 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 6.2 tp -89.99 -28.56 19.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.542 -0.724 . . . . 0.0 110.235 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -74.44 73.26 1.89 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.525 -0.735 . . . . 0.0 110.105 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -169.1 -40.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.583 -0.698 . . . . 0.0 110.279 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.4 p -97.29 -23.03 16.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.544 -0.723 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 79.1 m-85 -90.3 48.9 1.61 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.362 -0.836 . . . . 0.0 110.341 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.417 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.1 mt -117.06 166.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.453 -0.78 . . . . 0.0 110.101 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.402 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 29.2 pt -127.65 -36.3 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' A' ' 7' ' ' TYR . . . -175.9 -154.58 11.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 29.3 mt-10 -126.17 -179.5 4.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.596 -0.944 . . . . 0.0 110.329 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tt -104.74 167.17 9.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.209 177.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -80.2 116.27 60.34 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 121.582 -0.699 . . . . 0.0 110.11 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.402 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -52.9 -24.12 23.25 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.137 1.072 . . . . 0.0 111.242 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.21 -49.62 77.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -80.4 -34.71 36.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.543 -0.723 . . . . 0.0 110.307 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 4.4 ttt-85 -60.22 -60.84 3.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.517 -0.74 . . . . 0.0 110.069 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -63.67 -151.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.713 -0.617 . . . . 0.0 109.661 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.17 -101.19 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.228 176.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 46.9 mm -140.35 49.6 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.74 -1.225 . . . . 0.0 109.913 176.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.4 35.52 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.556 -0.715 . . . . 0.0 110.181 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -168.74 152.69 5.61 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.54 -0.725 . . . . 0.0 110.223 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.74 150.69 12.01 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 O-C-N 123.484 1.255 . . . . 0.0 111.185 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.6 m -160.44 164.28 32.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.585 -0.697 . . . . 0.0 110.206 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -130.05 173.09 11.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.477 -0.764 . . . . 0.0 110.235 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.9 m -157.83 45.65 0.35 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.585 -0.697 . . . . 0.0 110.164 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.418 178.037 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.182 0.515 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 52.91 98.1 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.431 -0.793 . . . . 0.0 110.769 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.56 -174.23 4.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 82.3 t -133.61 144.05 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.531 -0.73 . . . . 0.0 110.136 178.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -117.99 144.89 45.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.655 . . . . 0.0 109.746 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 82.13 5.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.44 -167.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.135 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.9 p -119.36 155.52 31.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.508 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 tp -70.19 -28.9 65.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.658 -0.651 . . . . 0.0 110.185 177.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.58 -28.19 64.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 110.16 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.1 -41.89 73.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.582 -0.699 . . . . 0.0 110.173 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -65.27 -41.4 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.551 -0.718 . . . . 0.0 109.936 177.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.28 49.06 1.64 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.575 -0.703 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -167.37 49.01 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.571 -0.705 . . . . 0.0 110.248 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.3 m-70 -124.6 28.71 6.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.567 -0.708 . . . . 0.0 110.269 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -27.97 69.21 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.623 -0.673 . . . . 0.0 110.353 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.72 -29.11 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.243 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -81.52 145.2 30.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.478 -0.764 . . . . 0.0 110.231 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -93.47 19.24 8.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.614 -0.679 . . . . 0.0 110.752 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.67 118.98 32.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.43 -0.794 . . . . 0.0 110.189 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -73.32 116.06 13.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.532 -0.73 . . . . 0.0 110.397 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.485 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 7.2 m95 -103.4 74.33 1.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.521 -0.737 . . . . 0.0 110.13 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.28 119.67 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.589 -0.694 . . . . 0.0 110.027 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 HD12 HG23 ' A' ' 24' ' ' ILE . 46.8 mm -79.57 137.5 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.631 -0.668 . . . . 0.0 110.118 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -150.49 122.33 8.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.599 -0.688 . . . . 0.0 109.881 177.5 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 52.97 57.72 6.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.42 -0.8 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 53.65 23.65 3.75 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.396 -0.815 . . . . 0.0 110.893 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 3.3 ttpt -121.62 149.25 43.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.504 -0.747 . . . . 0.0 110.256 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.8 t -103.3 124.37 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.566 -0.709 . . . . 0.0 109.752 178.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' CE2' HG12 ' A' ' 75' ' ' ILE . 61.6 m-85 -105.16 130.25 53.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.558 -0.714 . . . . 0.0 111.066 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -105.89 79.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -92.27 44.37 1.16 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.581 -0.7 . . . . 0.0 110.35 -174.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -69.79 -23.94 63.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.508 -0.745 . . . . 0.0 110.34 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.5 -28.36 41.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.438 -0.788 . . . . 0.0 110.166 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 39' ' ' HIS . 21.9 t80 -73.23 -29.22 62.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.521 -0.737 . . . . 0.0 110.036 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.31 -29.71 69.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.597 -0.689 . . . . 0.0 110.045 177.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -101.11 -20.15 15.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 110.742 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -79.6 -24.22 42.15 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.362 -0.836 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 74.3 m80 -125.11 73.31 65.98 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.409 -0.807 . . . . 0.0 110.35 177.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.24 -23.96 24.96 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 O-C-N 123.281 1.148 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.47 69.03 0.92 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.89 -31.23 2.74 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 56.56 -85.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.654 -0.91 . . . . 0.0 110.642 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -82.68 57.83 3.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.091 -1.006 . . . . 0.0 110.061 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.01 -40.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.549 -0.719 . . . . 0.0 110.073 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 16.2 mt -75.98 -53.71 7.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.412 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -107.01 70.38 0.79 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.485 -0.759 . . . . 0.0 110.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.59 -29.07 69.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.436 -0.79 . . . . 0.0 110.043 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 53.26 44.78 29.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.488 -0.757 . . . . 0.0 110.766 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.37 -29.34 14.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.652 -0.655 . . . . 0.0 110.217 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 48.84 0.07 OUTLIER Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.34 -126.33 3.19 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.49 -165.18 0.65 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.542 -0.975 . . . . 0.0 110.249 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.52 145.97 29.48 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.631 -0.668 . . . . 0.0 110.233 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.6 m -153.61 173.61 15.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.489 -0.757 . . . . 0.0 110.218 178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -85.94 -37.45 19.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.67 -0.644 . . . . 0.0 110.145 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -123.52 90.97 3.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.58 -0.7 . . . . 0.0 110.317 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 35.4 p90 -135.82 50.69 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.54 -0.725 . . . . 0.0 110.266 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 123.71 49.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.604 -0.685 . . . . 0.0 110.249 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -119.12 67.68 0.79 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.715 . . . . 0.0 110.347 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.5 p -115.29 148.34 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 110.136 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.22 37.64 3.4 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -134.45 127.09 30.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.57 -0.959 . . . . 0.0 110.222 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 52.85 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.401 -0.812 . . . . 0.0 110.761 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 p -82.08 106.19 13.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.186 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -127.34 174.71 8.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.541 -0.725 . . . . 0.0 110.21 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.48 -64.89 1.08 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.464 -0.772 . . . . 0.0 110.178 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -70.1 152.0 44.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.692 . . . . 0.0 110.195 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -99.06 -166.09 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.569 -0.707 . . . . 0.0 110.232 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.73 20.14 4.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.544 -0.722 . . . . 0.0 110.942 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.0 p -77.21 73.9 3.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 110.221 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -168.51 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 110.253 177.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -99.99 -27.28 13.65 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.557 -0.715 . . . . 0.0 110.481 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -90.7 48.8 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.298 178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.9 mt -113.65 166.9 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.49 -0.756 . . . . 0.0 109.92 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 36.2 pt -125.81 -34.45 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.478 -0.764 . . . . 0.0 111.062 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.45 -152.94 11.51 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -119.52 -170.88 2.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 110.129 177.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.2 tt -109.44 148.6 30.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.718 . . . . 0.0 110.161 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -60.95 117.42 25.48 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.59 -0.694 . . . . 0.0 109.991 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.7 -23.95 21.68 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 O-C-N 123.092 1.048 . . . . 0.0 111.246 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.94 -43.94 73.83 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.397 -0.814 . . . . 0.0 110.741 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.82 -28.97 40.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.561 -0.712 . . . . 0.0 109.818 176.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.3 -157.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.582 -0.699 . . . . 0.0 109.879 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -90.2 100.21 13.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.492 -0.755 . . . . 0.0 110.42 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.97 22.04 2.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.6 176.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -147.68 43.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.381 -0.825 . . . . 0.0 110.236 177.687 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.94 21.7 4.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.585 -0.697 . . . . 0.0 111.01 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm 52.95 62.73 9.55 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.107 -0.995 . . . . 0.0 110.716 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.06 -60.43 0.71 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 O-C-N 123.302 1.159 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -147.55 -159.54 1.04 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.646 -0.659 . . . . 0.0 110.195 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -137.33 104.43 5.38 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.588 -0.695 . . . . 0.0 110.245 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 34.7 p -152.13 149.34 28.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.599 -0.688 . . . . 0.0 110.14 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 177.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.129 0.49 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 mptt 52.78 -177.1 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.382 -0.824 . . . . 0.0 110.782 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -85.93 82.11 8.26 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.581 -0.699 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 72.9 t 54.18 105.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.424 -0.797 . . . . 0.0 110.667 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.85 147.98 31.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.49 -0.756 . . . . 0.0 109.607 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 96.57 6.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.422 -0.799 . . . . 0.0 110.518 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.31 -167.35 1.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 109.912 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 20.0 p -132.59 177.24 7.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.53 -0.731 . . . . 0.0 110.351 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 tp -82.87 -28.23 30.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.7 -0.625 . . . . 0.0 110.252 178.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.09 -28.29 43.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.612 -0.68 . . . . 0.0 110.219 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.56 -34.94 53.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.602 -0.687 . . . . 0.0 110.247 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 75.4 mt -79.03 -29.35 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.574 -0.704 . . . . 0.0 109.975 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.26 49.11 1.64 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.544 -0.723 . . . . 0.0 110.306 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -149.27 32.2 0.74 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.739 . . . . 0.0 110.233 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -128.26 92.39 3.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.575 -0.703 . . . . 0.0 110.225 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -122.26 47.48 1.91 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.671 -0.643 . . . . 0.0 110.2 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.32 168.0 9.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.507 -0.746 . . . . 0.0 110.167 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 45.94 1.17 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.591 -0.693 . . . . 0.0 110.197 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -125.25 -42.25 2.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.592 -0.693 . . . . 0.0 110.193 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -147.79 169.49 19.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.593 -0.692 . . . . 0.0 110.206 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -136.5 134.48 37.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.504 -0.748 . . . . 0.0 110.19 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.422 ' CZ2' ' CD1' ' A' ' 76' ' ' ILE . 4.7 m0 -99.4 86.79 3.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.586 -0.696 . . . . 0.0 110.252 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 69.4 t -79.41 136.62 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.456 -0.777 . . . . 0.0 109.296 176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.96 134.92 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.58 -0.7 . . . . 0.0 109.913 177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 3.9 mp -105.14 71.47 0.95 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.91 26.8 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.409 ' CD2' ' HD2' ' A' ' 84' ' ' ARG . 10.5 t-160 -179.92 -61.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 173.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -76.92 151.69 35.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.746 -0.596 . . . . 0.0 111.119 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 HG12 ' CZ3' ' A' ' 22' ' ' TRP . 46.3 t -109.85 119.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 30' ' ' TYR . 22.8 m-85 -99.28 119.73 38.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.474 -0.766 . . . . 0.0 111.264 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -96.35 81.95 3.35 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 169.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -89.95 45.59 1.29 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.556 -0.715 . . . . 0.0 110.831 -173.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -72.05 -26.52 62.22 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.371 -0.83 . . . . 0.0 110.213 176.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.416 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 15.6 ttmt -82.23 -21.02 36.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CZ ' ' CG ' ' A' ' 39' ' ' HIS . 68.9 t80 -85.89 -27.9 24.71 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.399 -0.813 . . . . 0.0 110.202 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -46.86 89.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 178.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -24.31 63.09 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.724 . . . . 0.0 110.502 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.72 -67.89 0.72 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.441 -0.787 . . . . 0.0 110.104 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 18.6 m80 -79.82 172.24 10.38 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 109.903 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.54 -32.02 51.63 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 O-C-N 123.263 1.138 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.67 50.5 66.94 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 63.94 2.04 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 56.69 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.67 -0.9 . . . . 0.0 110.85 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.54 46.97 1.38 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.187 -0.945 . . . . 0.0 110.422 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.58 -33.42 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.444 -0.785 . . . . 0.0 110.269 178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -90.28 54.34 2.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.336 -0.853 . . . . 0.0 110.312 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 53.16 47.08 25.25 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 52.79 -176.5 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.985 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -79.63 -164.46 0.65 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.598 -0.689 . . . . 0.0 110.075 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.7 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.446 -0.784 . . . . 0.0 110.8 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.53 -45.43 89.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.79 -87.97 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.1 -167.94 1.75 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.552 -0.97 . . . . 0.0 110.154 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.78 -159.34 0.24 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.624 -0.672 . . . . 0.0 110.158 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.5 p -81.17 91.79 6.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.589 -0.694 . . . . 0.0 110.231 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -145.0 131.26 19.53 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.622 -0.674 . . . . 0.0 110.301 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 52.9 52.18 14.41 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.438 -0.789 . . . . 0.0 110.794 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -124.79 30.31 5.96 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.309 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.65 -164.88 1.64 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.588 -0.695 . . . . 0.0 110.316 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.21 110.1 18.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.609 -0.682 . . . . 0.0 110.266 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -61.57 166.77 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.097 178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.12 62.45 1.58 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -165.39 -158.99 0.4 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.583 -0.951 . . . . 0.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -158.73 -146.01 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.4 m 53.22 97.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.001 -1.062 . . . . 0.0 110.576 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.0 100.32 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.419 -0.8 . . . . 0.0 110.687 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.93 -27.84 67.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.631 -0.668 . . . . 0.0 110.35 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -61.01 145.13 51.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.541 -0.724 . . . . 0.0 110.163 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.21 175.09 10.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.602 -0.686 . . . . 0.0 110.237 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.453 ' CD2' ' CE2' ' A' ' 74' ' ' TYR . 11.2 tp -90.85 42.54 1.11 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.707 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p -100.39 70.89 1.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -168.52 -40.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.537 -0.727 . . . . 0.0 110.189 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.402 ' OG1' ' CE2' ' A' ' 74' ' ' TYR . 73.8 p -96.96 30.38 2.73 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.494 -0.754 . . . . 0.0 110.371 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.453 ' CE2' ' CD2' ' A' ' 70' ' ' LEU . 92.3 m-85 -152.01 29.17 0.58 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.432 -0.792 . . . . 0.0 110.207 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.414 HD11 HG22 ' A' ' 75' ' ' ILE . 71.2 mt -102.43 164.8 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.521 -0.737 . . . . 0.0 109.716 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.422 ' CD1' ' CZ2' ' A' ' 22' ' ' TRP . 40.4 pt -121.6 -32.74 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.99 -153.26 10.62 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -132.2 -169.06 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.599 -0.942 . . . . 0.0 110.582 179.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -96.16 162.16 13.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.664 -0.647 . . . . 0.0 110.466 177.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CD2' ' HD2' ' A' ' 81' ' ' PRO . 28.9 t-80 -85.82 147.01 44.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.554 -0.716 . . . . 0.0 110.069 176.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 50.4 Cg_exo -53.72 -22.27 22.43 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 O-C-N 123.421 1.222 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.32 -61.43 2.49 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.308 -0.87 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -84.92 -21.73 29.54 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.463 -0.773 . . . . 0.0 110.928 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 5.5 mtp180 -54.51 -59.78 4.23 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.284 -0.885 . . . . 0.0 110.535 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -90.03 -74.61 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.627 -0.671 . . . . 0.0 110.163 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.94 -76.12 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.491 -0.755 . . . . 0.0 109.771 177.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 50.7 mm -135.99 56.37 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.569 -0.707 . . . . 0.0 109.925 177.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.89 55.11 3.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.228 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' N ' ' CD ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -85.03 -50.12 0.57 Allowed Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.563 -0.711 . . . . 0.0 110.486 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 89' ' ' LYS . 50.2 Cg_exo -52.12 160.34 3.3 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 O-C-N 123.196 1.103 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -167.69 79.44 0.18 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.606 -0.684 . . . . 0.0 110.169 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -164.54 -71.69 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 110.173 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.4 m -82.09 173.77 11.85 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.547 -0.721 . . . . 0.0 110.217 178.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mp . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.212 178.03 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.049 0.452 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -130.4 -165.84 1.6 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.511 -0.743 . . . . 0.0 110.194 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.1 -158.76 0.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.509 -0.745 . . . . 0.0 110.252 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -78.36 134.13 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.543 -0.723 . . . . 0.0 110.066 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -110.1 148.4 31.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.627 -0.671 . . . . 0.0 109.531 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -79.72 80.68 6.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.437 -0.79 . . . . 0.0 110.228 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -61.33 141.85 57.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.629 -0.669 . . . . 0.0 110.006 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -84.91 157.28 20.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.611 -0.681 . . . . 0.0 110.406 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.5 tp -59.44 -26.84 65.53 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.576 -0.703 . . . . 0.0 110.434 178.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.75 -26.98 50.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.508 -0.745 . . . . 0.0 110.394 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -29.28 49.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.557 -0.715 . . . . 0.0 110.225 178.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.3 mm -77.1 -37.08 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.553 -0.717 . . . . 0.0 109.955 178.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.31 49.06 1.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.591 -0.693 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.28 37.87 3.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.463 -0.773 . . . . 0.0 110.308 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 65.2 m-70 -115.47 108.22 16.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.587 -0.695 . . . . 0.0 110.121 177.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -44.04 0.19 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.646 -0.659 . . . . 0.0 110.323 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -79.75 -68.08 0.7 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.541 -0.725 . . . . 0.0 110.267 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -61.26 161.41 9.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.522 -0.736 . . . . 0.0 110.077 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.07 136.37 43.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 110.15 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -171.88 -159.12 0.14 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.598 -0.689 . . . . 0.0 109.873 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 t -159.44 82.54 0.76 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 176.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.425 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 7.7 m95 -83.61 83.03 8.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.568 -0.707 . . . . 0.0 110.245 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 82.7 t -84.56 142.24 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.13 137.21 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.43 HD23 ' CZ ' ' A' ' 30' ' ' TYR . 8.4 mp -103.58 -75.65 0.61 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.525 -0.735 . . . . 0.0 110.625 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -120.64 -41.65 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' CE1' ' HG3' ' A' ' 81' ' ' PRO . 6.5 t-160 -159.02 25.83 0.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.571 -0.706 . . . . 0.0 110.262 175.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -126.85 143.11 51.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.472 -0.767 . . . . 0.0 110.25 178.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.409 HG12 ' CE3' ' A' ' 22' ' ' TRP . 47.5 t -99.76 118.67 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.688 -0.633 . . . . 0.0 109.515 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.43 ' CZ ' HD23 ' A' ' 25' ' ' LEU . 28.3 m-85 -95.55 122.62 38.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.487 -0.758 . . . . 0.0 111.133 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -100.95 83.8 2.58 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -95.8 29.4 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.619 -0.676 . . . . 0.0 110.315 -174.54 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -60.21 -28.69 68.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.407 -0.808 . . . . 0.0 110.259 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.12 -40.04 47.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.502 -0.748 . . . . 0.0 109.847 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE2' ' NE2' ' A' ' 39' ' ' HIS . 29.1 t80 -64.5 -37.99 89.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.646 -0.659 . . . . 0.0 109.764 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.9 tt -61.23 -31.86 71.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.652 -0.655 . . . . 0.0 110.125 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -91.4 -24.98 19.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.649 -0.657 . . . . 0.0 110.509 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.74 -27.02 40.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.447 -0.783 . . . . 0.0 110.276 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 68.9 m-70 -109.53 98.42 32.37 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.502 -0.749 . . . . 0.0 110.015 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.99 102.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.368 1.194 . . . . 0.0 111.0 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.94 55.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.07 70.25 0.79 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 178.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.23 -45.42 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.63 -0.923 . . . . 0.0 109.946 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -100.23 -27.64 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.592 -0.692 . . . . 0.0 110.324 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.9 m -59.3 104.42 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.505 -0.747 . . . . 0.0 110.416 179.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.404 ' CD1' ' CD2' ' A' ' 32' ' ' LEU . 1.5 mt 47.73 27.34 1.05 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.39 -0.819 . . . . 0.0 111.47 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -109.68 -27.6 9.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.644 -0.66 . . . . 0.0 110.322 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -60.11 117.92 5.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.484 -0.76 . . . . 0.0 110.39 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.56 -164.71 1.09 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.562 -0.711 . . . . 0.0 110.145 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.22 29.36 8.3 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.38 -0.825 . . . . 0.0 110.712 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.61 110.93 1.06 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.2 -111.35 0.01 OUTLIER Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 52.87 -165.69 0.07 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.381 -1.07 . . . . 0.0 110.806 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.68 -166.38 1.07 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.61 -0.681 . . . . 0.0 110.153 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -59.35 -25.66 64.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.74 . . . . 0.0 110.548 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 56.4 -86.33 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.643 -0.661 . . . . 0.0 110.823 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -143.94 35.59 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.022 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 52.26 -88.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 111.365 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -122.38 -51.47 1.97 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.939 -1.101 . . . . 0.0 110.235 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 t70 50.24 66.87 1.02 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.407 -0.808 . . . . 0.0 110.863 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.44 46.06 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.59 -0.694 . . . . 0.0 110.292 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.27 52.51 46.54 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.51 155.83 20.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.586 -0.949 . . . . 0.0 110.181 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.1 p -157.15 44.39 0.37 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.571 -0.706 . . . . 0.0 110.208 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.5 t -168.27 -177.22 3.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 177.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 p30 38.94 -156.42 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 178.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 169.7 8.07 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -85.11 -72.09 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.608 -0.682 . . . . 0.0 110.199 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -123.05 107.43 11.78 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.559 -0.713 . . . . 0.0 110.219 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD13 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -90.86 20.95 4.4 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 111.095 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -61.72 -26.28 67.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.176 -0.953 . . . . 0.0 110.314 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.0 pttm -68.98 -22.36 64.1 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.555 -0.715 . . . . 0.0 110.825 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 62.4 p -93.25 -23.19 18.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.336 -0.852 . . . . 0.0 110.61 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.411 ' CD1' HD13 ' A' ' 70' ' ' LEU . 4.8 m-85 -92.75 44.52 1.16 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.48 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.447 HD12 HG23 ' A' ' 75' ' ' ILE . 70.3 mt -107.96 166.19 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.528 -0.732 . . . . 0.0 109.927 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 pt -121.72 -34.1 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.465 -0.772 . . . . 0.0 110.798 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.22 -147.42 6.24 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -133.28 -175.5 3.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.597 -0.943 . . . . 0.0 110.303 176.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.9 tt -106.83 162.74 13.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.366 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -81.37 118.43 72.22 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.606 -0.684 . . . . 0.0 110.203 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.417 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -53.39 -23.12 23.03 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.141 1.074 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.69 -49.03 74.07 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.369 -0.832 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -93.67 -22.38 18.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.502 -0.749 . . . . 0.0 110.708 179.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -58.27 -45.97 86.9 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.389 -0.82 . . . . 0.0 110.439 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -90.07 8.17 34.05 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.532 -0.73 . . . . 0.0 111.074 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt 54.89 56.19 6.93 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.1 -1.0 . . . . 0.0 110.396 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 pp -143.36 31.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.602 -0.686 . . . . 0.0 110.327 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.95 -75.22 0.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.541 -0.724 . . . . 0.0 110.005 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt 51.7 63.65 9.02 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.34 -0.85 . . . . 0.0 110.867 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.4 91.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.35 0 O-C-N 123.287 1.151 . . . . 0.0 110.963 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 t -144.85 28.55 1.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.479 -0.763 . . . . 0.0 110.288 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 52.92 98.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.364 -0.835 . . . . 0.0 110.814 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 19.5 m -149.07 29.0 0.81 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.492 -0.755 . . . . 0.0 110.229 177.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.115 178.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.099 0.476 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -164.06 46.89 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.21 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t70 52.83 -176.23 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.438 -0.789 . . . . 0.0 110.844 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 69.2 t -82.88 140.9 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.15 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -101.5 140.99 35.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.674 -0.641 . . . . 0.0 109.439 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.63 77.99 6.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.449 -0.782 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -62.07 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.601 -0.687 . . . . 0.0 109.853 177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.2 p -136.59 168.55 19.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.484 -0.76 . . . . 0.0 110.541 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tp -72.1 -31.85 66.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.645 -0.659 . . . . 0.0 110.095 177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.79 -27.11 67.31 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.627 -0.67 . . . . 0.0 110.328 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -79.9 -28.85 39.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.522 -0.737 . . . . 0.0 110.417 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.12 -22.55 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.482 -0.761 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -90.45 21.47 3.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.317 -0.864 . . . . 0.0 111.215 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -144.48 51.06 1.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.233 -0.917 . . . . 0.0 110.335 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.2 132.84 54.65 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.179 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.83 -167.94 1.59 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.132 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -70.47 0.52 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.632 -0.667 . . . . 0.0 110.215 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m 52.78 -159.65 0.12 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.413 -0.804 . . . . 0.0 110.749 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.75 -28.89 22.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.52 -0.738 . . . . 0.0 110.236 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.0 p -93.16 173.11 7.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.573 -0.705 . . . . 0.0 110.203 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.0 t -162.42 135.58 6.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.559 -0.713 . . . . 0.0 110.593 178.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -94.42 77.53 3.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.709 -0.619 . . . . 0.0 109.905 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 58.8 t -79.61 117.5 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.609 -0.682 . . . . 0.0 109.865 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -79.42 136.68 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.52 -0.738 . . . . 0.0 110.544 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -133.58 84.61 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.659 -0.651 . . . . 0.0 109.671 176.852 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 54.56 87.58 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.462 -0.774 . . . . 0.0 110.746 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 54.05 26.79 6.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.5 -0.75 . . . . 0.0 111.266 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -135.77 142.17 44.9 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.311 -0.868 . . . . 0.0 110.409 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.4 t -107.58 126.18 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.541 -0.724 . . . . 0.0 109.65 177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.451 ' CE1' ' CB ' ' A' ' 25' ' ' LEU . 24.5 m-85 -108.26 129.69 55.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.756 . . . . 0.0 111.129 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -102.91 82.93 2.16 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -91.89 42.54 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.634 -0.666 . . . . 0.0 110.653 -174.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -62.12 -26.42 68.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.47 -0.768 . . . . 0.0 110.212 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.38 51.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.527 -0.733 . . . . 0.0 110.43 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 85.6 t80 -89.91 -43.09 10.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 0.0 110.369 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tt -50.66 -26.49 5.51 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.34 -0.85 . . . . 0.0 110.839 -178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -95.38 -21.89 18.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.559 -0.713 . . . . 0.0 110.669 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -79.52 -36.93 37.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.977 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 65.7 m80 -135.09 61.79 48.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 109.72 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -65.76 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.217 1.114 . . . . 0.0 111.324 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.73 -71.19 0.7 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.01 -66.32 0.03 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.41 -45.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.951 . . . . 0.0 109.866 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.29 98.45 8.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' ARG . 20.2 m -134.23 -47.33 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.291 -0.881 . . . . 0.0 110.765 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' O ' ' CZ ' ' A' ' 35' ' ' PHE . 1.4 mp 55.66 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.592 -0.693 . . . . 0.0 111.365 176.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' VAL . 34.9 mtp180 -144.71 -45.05 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.197 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.58 41.75 0.62 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.29 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -85.24 100.58 11.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.501 -0.749 . . . . 0.0 110.272 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.49 -53.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.594 -0.691 . . . . 0.0 110.185 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.39 41.19 2.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.78 114.02 0.29 Allowed Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -102.08 137.1 40.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.555 -0.968 . . . . 0.0 110.24 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.86 91.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.331 -0.856 . . . . 0.0 110.836 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.8 m -153.71 174.81 14.02 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.139 178.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -26.91 66.72 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.53 -0.731 . . . . 0.0 110.356 178.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -114.38 103.11 10.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.061 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' CG ' HD11 ' A' ' 25' ' ' LEU . 36.4 p90 -136.3 26.45 3.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.501 -0.749 . . . . 0.0 110.456 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -120.54 -179.87 4.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -133.81 -164.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.538 -0.726 . . . . 0.0 110.307 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.8 p -165.72 118.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.619 -0.675 . . . . 0.0 110.19 177.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.9 110.42 3.01 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -159.41 -61.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.614 -0.933 . . . . 0.0 110.207 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.4 t -162.06 -42.64 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.606 -0.683 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.9 t -142.76 42.54 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.622 -0.674 . . . . 0.0 110.166 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 52.99 98.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.443 -0.786 . . . . 0.0 110.751 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -90.38 47.23 1.41 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.552 -0.717 . . . . 0.0 110.382 177.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -28.01 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -93.81 41.58 1.09 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.669 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.414 HD22 ' CE1' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -90.08 -65.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.486 -0.759 . . . . 0.0 109.816 176.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -71.57 65.05 0.45 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.509 -0.744 . . . . 0.0 110.064 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.4 tptt -167.23 -60.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.682 . . . . 0.0 109.936 178.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 t -74.87 -23.48 58.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.56 -0.713 . . . . 0.0 110.491 177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -89.95 47.47 1.46 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.393 -0.817 . . . . 0.0 110.25 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 HG12 ' CD2' ' A' ' 30' ' ' TYR . 73.3 mt -125.7 156.29 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.412 -0.805 . . . . 0.0 110.246 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.8 pt -116.24 -24.79 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.668 -0.645 . . . . 0.0 110.886 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.0 -143.81 7.23 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -141.76 -170.05 3.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.54 -0.976 . . . . 0.0 110.234 176.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 27.6 tp -100.06 153.17 19.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 110.113 177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -72.83 134.07 81.67 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.651 -0.655 . . . . 0.0 110.01 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.17 -22.56 26.14 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.118 1.062 . . . . 0.0 111.214 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.94 -60.27 3.82 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 0.0 110.824 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -79.92 -8.3 59.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.51 -0.744 . . . . 0.0 111.331 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.1 mmm180 -59.49 -82.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.181 -0.949 . . . . 0.0 110.496 179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -90.75 -86.52 0.21 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.226 -0.921 . . . . 0.0 110.589 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 90.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.024 -1.047 . . . . 0.0 110.08 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.431 HD11 HG22 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -82.84 6.67 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.599 -0.688 . . . . 0.0 111.147 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.31 74.93 0.36 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.162 -0.961 . . . . 0.0 110.132 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 111.51 3.78 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.493 -0.755 . . . . 0.0 110.384 178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.5 -38.94 55.09 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 O-C-N 123.121 1.064 . . . . 0.0 111.234 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.74 -41.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.568 -0.707 . . . . 0.0 110.32 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.79 137.98 58.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.541 -0.724 . . . . 0.0 110.233 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 41.0 p -125.48 -72.06 0.68 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.636 -0.665 . . . . 0.0 110.237 178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.335 178.525 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 120.758 0.313 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -157.53 150.56 23.35 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.36 -0.837 . . . . 0.0 110.152 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -113.05 -172.5 2.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.302 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.7 t 53.29 91.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.779 . . . . 0.0 110.684 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 2.1 tttp -84.1 158.12 21.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.551 -0.718 . . . . 0.0 109.643 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -85.74 86.27 7.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.5 -0.75 . . . . 0.0 110.463 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 80.1 m-85 -75.04 135.35 41.25 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.601 -0.687 . . . . 0.0 109.8 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -92.04 130.52 37.76 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.532 -0.73 . . . . 0.0 110.083 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -57.22 -25.37 58.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.441 -0.787 . . . . 0.0 110.452 176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -59.15 -38.76 80.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.495 -0.753 . . . . 0.0 110.161 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.42 -26.25 23.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.726 . . . . 0.0 110.548 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.5 mt -82.86 -18.98 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.523 -0.736 . . . . 0.0 110.694 178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.92 48.91 1.69 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.212 -0.93 . . . . 0.0 110.32 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -168.48 33.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.031 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.13 -168.71 1.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.598 -0.689 . . . . 0.0 110.22 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -91.92 163.73 13.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.619 -0.676 . . . . 0.0 110.21 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -111.1 -27.51 8.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.514 -0.742 . . . . 0.0 110.36 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -60.52 -28.27 68.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.476 -0.765 . . . . 0.0 110.264 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -147.22 166.37 27.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.509 -0.744 . . . . 0.0 110.361 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t 52.88 69.08 0.74 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.355 -0.841 . . . . 0.0 110.785 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.3 t -76.96 113.93 15.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.541 -0.724 . . . . 0.0 110.314 178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.5 m95 -99.03 66.44 1.55 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.448 -0.783 . . . . 0.0 110.131 178.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 80.5 t -81.95 152.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.494 -0.754 . . . . 0.0 109.915 178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.0 mp -123.44 138.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.545 -0.722 . . . . 0.0 109.839 178.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -82.31 -76.02 0.28 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.547 -0.721 . . . . 0.0 110.118 178.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -124.16 -51.85 1.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.529 -0.732 . . . . 0.0 109.728 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -142.25 24.12 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.628 -0.67 . . . . 0.0 110.241 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -123.88 138.16 54.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.473 -0.767 . . . . 0.0 110.183 178.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -94.11 125.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.768 178.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.421 ' CE2' HG12 ' A' ' 75' ' ' ILE . 29.9 m-85 -107.68 129.41 55.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.569 -0.707 . . . . 0.0 111.175 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -105.93 77.95 1.29 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -87.93 49.74 1.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.628 -0.67 . . . . 0.0 110.466 -174.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -70.03 -25.3 63.5 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.395 -0.816 . . . . 0.0 110.266 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -75.81 -30.28 58.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.464 -0.773 . . . . 0.0 109.926 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CD2' HD13 ' A' ' 46' ' ' LEU . 75.8 t80 -74.9 -41.93 58.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 109.77 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.71 -35.39 76.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.554 -0.716 . . . . 0.0 110.119 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.53 26.14 4.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -104.69 -30.18 10.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.515 -0.74 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -128.32 85.93 59.17 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.607 -0.683 . . . . 0.0 109.974 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.29 96.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.34 1.179 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.27 30.99 2.74 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.76 87.83 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 67.32 -63.05 0.3 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.659 -0.907 . . . . 0.0 110.844 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.57 38.54 1.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.851 . . . . 0.0 110.61 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.29 170.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 O-C-N 121.456 -0.777 . . . . 0.0 109.508 177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 35' ' ' PHE . 2.0 mt -52.18 -26.35 11.32 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.318 -0.864 . . . . 0.0 111.089 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -58.41 -27.3 64.17 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.77 . . . . 0.0 110.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.09 -63.28 1.45 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.497 -0.752 . . . . 0.0 110.208 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 52.72 95.61 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.436 -0.79 . . . . 0.0 110.799 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.45 99.79 8.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.561 -0.712 . . . . 0.0 110.199 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.92 109.39 1.78 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.94 30.85 9.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.09 -42.54 1.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.63 -0.924 . . . . 0.0 110.214 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.23 -165.4 1.79 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.604 -0.685 . . . . 0.0 110.185 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -82.37 -63.11 1.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.48 -0.762 . . . . 0.0 110.239 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 52.91 98.09 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.9 98.36 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.322 -0.861 . . . . 0.0 110.783 178.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -90.28 -56.33 3.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.226 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.35 124.85 29.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 110.244 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -36.04 10.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.513 -0.742 . . . . 0.0 110.141 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.43 167.04 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 110.253 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -102.46 168.09 18.33 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 178.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.1 m80 -111.39 -26.85 8.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.536 -0.979 . . . . 0.0 110.321 178.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 p 51.16 37.7 18.98 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.552 -0.718 . . . . 0.0 110.99 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.3 p -154.94 -72.11 0.12 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.602 -0.686 . . . . 0.0 110.169 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -124.8 43.27 3.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.528 -0.732 . . . . 0.0 110.141 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.26 -156.78 0.21 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.664 -0.647 . . . . 0.0 110.241 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 55.55 172.65 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.502 -0.749 . . . . 0.0 110.747 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.71 23.74 2.85 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.382 -0.824 . . . . 0.0 111.017 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' HG ' ' CD2' ' A' ' 74' ' ' TYR . 0.4 OUTLIER -90.75 -63.68 1.24 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.458 -0.777 . . . . 0.0 110.09 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -71.31 67.34 0.48 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 0.0 110.186 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -168.46 -40.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.503 -0.748 . . . . 0.0 110.071 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.3 t -99.31 -22.0 15.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.571 -0.706 . . . . 0.0 110.565 177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 28.9 m-85 -90.91 47.76 1.45 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 178.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.421 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.0 mt -123.52 165.32 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 77' ' ' GLY . 31.4 pt -127.63 -35.81 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.53 -0.732 . . . . 0.0 110.965 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.4 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.13 -154.23 11.8 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -110.92 -168.23 1.28 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.581 -0.952 . . . . 0.0 110.355 178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 69.1 tp -110.49 159.5 17.46 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.586 -0.696 . . . . 0.0 110.044 177.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -85.72 113.61 52.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.629 -0.669 . . . . 0.0 110.013 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.2 -22.79 20.81 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 O-C-N 123.185 1.097 . . . . 0.0 111.39 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -53.94 -54.3 40.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.32 -0.862 . . . . 0.0 111.266 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -83.94 -14.94 49.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.364 -0.835 . . . . 0.0 111.28 -179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.9 mmm-85 -51.15 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.097 -1.002 . . . . 0.0 111.034 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 t -90.87 -87.11 0.2 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.153 -0.967 . . . . 0.0 110.408 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.66 70.88 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.105 -0.997 . . . . 0.0 109.755 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.2 mp -90.95 49.89 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.353 -0.842 . . . . 0.0 110.082 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.02 -158.45 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.476 -0.765 . . . . 0.0 109.976 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -168.32 143.79 3.0 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.532 -0.73 . . . . 0.0 110.085 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.24 -176.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 O-C-N 123.359 1.189 . . . . 0.0 111.043 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -76.27 -40.95 50.47 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.549 -0.719 . . . . 0.0 110.17 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -167.92 80.63 0.18 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.55 -0.719 . . . . 0.0 110.261 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.9 m -159.93 -64.61 0.07 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.533 -0.729 . . . . 0.0 110.202 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.128 178.147 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 31.34 0.07 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.49 -0.756 . . . . 0.0 110.274 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.34 -177.81 4.75 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.548 -0.72 . . . . 0.0 110.155 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.3 t -80.77 145.1 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.591 -0.693 . . . . 0.0 110.067 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -156.07 0.59 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.572 -0.705 . . . . 0.0 109.903 176.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -132.53 96.39 3.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.495 -0.753 . . . . 0.0 110.298 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.437 ' CE2' ' CD1' ' A' ' 76' ' ' ILE . 37.2 m-85 -81.5 135.21 35.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.574 -0.704 . . . . 0.0 110.251 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -67.08 151.69 47.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.587 -0.695 . . . . 0.0 110.04 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 tp -66.49 -28.84 68.88 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.567 -0.708 . . . . 0.0 110.203 178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -69.47 -27.84 65.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.573 -0.705 . . . . 0.0 110.194 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -26.27 49.21 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.534 -0.729 . . . . 0.0 110.396 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 68.5 mt -83.8 -20.18 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.527 -0.733 . . . . 0.0 110.478 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -90.35 48.71 1.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.335 -0.853 . . . . 0.0 110.352 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 26.42 0.88 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -0.758 . . . . 0.0 110.452 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 22' ' ' TRP . 53.7 m-70 -98.64 -156.06 0.53 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 56.67 52.4 9.7 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.127 -0.983 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -168.36 -45.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.651 -0.656 . . . . 0.0 109.845 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.55 50.49 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.602 -0.686 . . . . 0.0 110.054 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG2' ' CE1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -136.94 -152.67 0.45 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.51 -0.743 . . . . 0.0 109.928 178.626 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.7 m -102.23 -158.76 0.69 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 110.48 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.2 t -103.53 86.84 2.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.442 178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.495 ' CG ' ' CE1' ' A' ' 15' ' ' HIS . 5.6 m95 -80.0 75.76 6.73 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.465 -0.772 . . . . 0.0 110.273 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.6 137.74 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.591 -0.693 . . . . 0.0 109.332 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.1 mt -109.77 136.85 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.378 -0.826 . . . . 0.0 110.456 -179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.415 HD22 ' CD1' ' A' ' 30' ' ' TYR . 4.2 mm? -98.9 51.22 0.96 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.45 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' OD2' ' A' ' 53' ' ' ASP . 46.5 m-70 56.92 18.97 4.2 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.614 -0.679 . . . . 0.0 110.887 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.404 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 13.3 t-160 -176.29 -62.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.0 110.04 176.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 mttp -80.75 147.55 30.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.683 -0.636 . . . . 0.0 110.495 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.81 125.68 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.582 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CD2' HG12 ' A' ' 75' ' ' ILE . 23.3 m-85 -107.14 123.54 48.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 111.034 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.402 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 14.1 t0 -105.48 85.58 2.27 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.8 69.69 2.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.543 -0.723 . . . . 0.0 110.28 -173.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 77.1 p -67.72 -41.59 83.25 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.422 -0.799 . . . . 0.0 109.964 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -60.53 -30.77 69.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.57 -0.706 . . . . 0.0 109.85 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 80.8 t80 -80.65 -43.23 20.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.594 -0.691 . . . . 0.0 109.485 175.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.95 -30.28 70.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.779 -0.575 . . . . 0.0 109.738 177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -77.37 -29.46 53.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.243 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -85.41 -28.9 24.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.574 -0.704 . . . . 0.0 110.206 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 67.1 m80 -119.62 84.84 31.32 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 110.252 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.98 103.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 O-C-N 123.357 1.188 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.79 -88.77 0.07 OUTLIER Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.26 -149.76 7.06 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.7 -72.39 0.19 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.974 . . . . 0.0 110.217 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.58 69.03 0.4 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.297 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.82 -19.37 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.518 -0.739 . . . . 0.0 110.683 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 1.5 mp -57.33 169.94 0.56 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.268 -0.895 . . . . 0.0 110.15 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -71.86 64.55 0.5 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.611 -0.681 . . . . 0.0 110.177 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -155.55 112.41 3.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.449 -0.782 . . . . 0.0 110.175 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.62 -155.9 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.625 -0.672 . . . . 0.0 109.993 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.39 82.33 0.05 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.525 -0.734 . . . . 0.0 110.178 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.48 -89.07 0.08 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.2 -84.72 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 26' ' ' HIS . 12.4 t70 53.48 99.46 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.386 -1.067 . . . . 0.0 110.737 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.34 167.67 13.8 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -0.752 . . . . 0.0 110.263 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.416 ' HA ' ' CE1' ' A' ' 58' ' ' PHE . 8.1 t -106.9 -154.85 0.53 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.165 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 57.25 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.514 -0.741 . . . . 0.0 110.484 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.59 72.03 6.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.099 -1.001 . . . . 0.0 109.899 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.416 ' CE1' ' HA ' ' A' ' 55' ' ' THR . 27.8 m-85 -59.32 -169.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.355 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.5 117.19 33.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.579 -0.701 . . . . 0.0 110.3 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.46 153.38 51.07 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.62 -0.675 . . . . 0.0 110.184 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.33 162.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.596 -0.69 . . . . 0.0 110.189 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.56 -149.19 15.94 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -135.87 -70.33 0.48 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.612 -0.934 . . . . 0.0 110.257 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -131.85 -52.8 0.99 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.657 -0.652 . . . . 0.0 110.219 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.8 t -132.3 -40.52 1.01 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.548 -0.72 . . . . 0.0 110.61 178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.17 118.44 7.38 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.56 58.18 4.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.612 -0.68 . . . . 0.0 110.267 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -81.21 174.44 11.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 0.0 110.165 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -112.75 141.21 46.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.529 -0.732 . . . . 0.0 110.207 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' CG ' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -81.29 -53.95 5.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.241 178.18 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -84.3 56.63 3.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.716 . . . . 0.0 110.23 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -146.03 -66.1 0.3 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.495 -0.753 . . . . 0.0 110.356 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.43 HG21 ' CE1' ' A' ' 74' ' ' TYR . 13.4 t -94.12 20.85 7.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.703 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.43 ' CE1' HG21 ' A' ' 73' ' ' THR . 36.2 m-85 -115.85 28.81 8.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.82 . . . . 0.0 109.796 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 30' ' ' TYR . 68.4 mt -113.79 157.99 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.537 -0.727 . . . . 0.0 110.789 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.437 ' CD1' ' CE2' ' A' ' 7' ' ' TYR . 3.6 pt -121.84 -26.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.667 -0.646 . . . . 0.0 111.092 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.06 -147.41 8.32 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' OE2' ' CE1' ' A' ' 27' ' ' HIS . 4.5 mt-10 -132.79 -166.81 1.81 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.518 -0.99 . . . . 0.0 110.744 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.34 132.29 49.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.732 -0.605 . . . . 0.0 109.846 177.23 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -60.86 114.55 10.69 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.74 -24.91 10.6 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 O-C-N 122.988 0.994 . . . . 0.0 111.687 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.14 -25.44 63.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.775 . . . . 0.0 110.802 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -134.07 -5.21 2.73 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.29 -0.881 . . . . 0.0 112.134 -178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -50.82 -48.79 59.72 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.938 -1.101 . . . . 0.0 110.845 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -90.18 -78.0 0.38 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.557 -0.714 . . . . 0.0 110.048 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -170.22 32.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.968 176.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.6 mp -89.64 49.22 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.387 -0.821 . . . . 0.0 110.187 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.76 44.99 1.22 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.499 -0.751 . . . . 0.0 110.479 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mttm 51.73 62.55 10.72 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 121.341 -0.85 . . . . 0.0 110.783 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.89 -26.74 32.36 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.303 1.159 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.9 t 52.81 81.23 0.09 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.358 -0.839 . . . . 0.0 110.733 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -85.1 -165.56 1.24 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.526 -0.734 . . . . 0.0 110.196 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.2 m -83.05 -61.46 1.85 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.547 -0.721 . . . . 0.0 110.176 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.204 178.105 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.064 0.459 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -135.21 83.16 2.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.231 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.64 -160.08 0.33 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 110.197 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 75.9 t -82.3 141.86 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.559 -0.713 . . . . 0.0 110.04 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -115.82 147.68 40.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 109.683 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CD2' ' HD3' ' A' ' 81' ' ' PRO . 10.1 m-85 -79.89 86.78 5.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.51 -0.744 . . . . 0.0 110.285 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -61.48 -169.36 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.617 -0.677 . . . . 0.0 110.066 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.2 p -130.88 147.9 52.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.561 -0.712 . . . . 0.0 110.279 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.89 -27.72 68.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.569 -0.707 . . . . 0.0 110.295 178.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.58 -31.12 61.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.525 -0.734 . . . . 0.0 110.356 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -79.72 -26.1 40.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.523 -0.736 . . . . 0.0 110.431 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.3 mt -79.3 -32.6 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.514 -0.741 . . . . 0.0 109.994 178.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.33 48.7 1.59 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.6 -0.687 . . . . 0.0 110.42 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 58.84 0.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' CE1' ' NE1' ' A' ' 22' ' ' TRP . 24.1 m-70 -114.41 85.45 2.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.561 -0.712 . . . . 0.0 110.188 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -139.26 28.22 2.29 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.688 -0.632 . . . . 0.0 110.298 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -103.26 -72.33 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.16 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p -102.3 -158.25 0.66 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.623 -0.673 . . . . 0.0 110.043 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -103.8 137.03 42.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 110.08 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -170.54 -168.99 0.75 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.589 -0.694 . . . . 0.0 110.11 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.0 t -160.57 118.16 2.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.597 -0.69 . . . . 0.0 110.251 177.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.45 ' NE1' ' CE1' ' A' ' 15' ' ' HIS . 6.8 m95 -107.05 82.98 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.719 . . . . 0.0 110.123 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.7 t -85.55 104.05 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.673 -0.642 . . . . 0.0 110.18 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.6 mm -79.37 137.2 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.382 -0.824 . . . . 0.0 109.631 176.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD12 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -105.77 -83.71 0.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 110.245 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -110.24 -27.43 9.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.208 -0.933 . . . . 0.0 110.124 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 78' ' ' GLU . 8.6 t-160 -167.18 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.62 -0.675 . . . . 0.0 109.739 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.48 142.5 58.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.547 -0.721 . . . . 0.0 110.395 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.424 HG11 ' CE3' ' A' ' 22' ' ' TRP . 59.5 t -100.11 124.03 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.662 -0.649 . . . . 0.0 109.504 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.412 ' CE1' HD12 ' A' ' 25' ' ' LEU . 24.8 m-85 -92.59 114.23 26.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.528 -0.733 . . . . 0.0 111.021 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' CB ' ' CG2' ' A' ' 76' ' ' ILE . 24.9 t0 -95.29 72.99 3.31 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 170.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.18 57.95 2.39 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.672 -0.643 . . . . 0.0 110.446 -174.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.3 p -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -60.63 -25.11 66.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.482 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 9.2 t80 -89.97 -27.68 19.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -65.16 -26.14 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.571 -0.706 . . . . 0.0 110.398 178.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.68 -25.4 12.72 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.577 -0.702 . . . . 0.0 110.529 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.41 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 50.9 tt0 -86.41 -40.9 14.91 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.378 -0.827 . . . . 0.0 110.011 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 46.9 m80 -132.83 65.28 73.87 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.592 -0.693 . . . . 0.0 109.813 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.44 -53.6 6.61 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 O-C-N 123.288 1.152 . . . . 0.0 111.132 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.69 -68.6 0.99 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 -52.85 0.05 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -168.8 -66.46 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.549 -0.971 . . . . 0.0 110.031 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.41 -7.97 23.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.5 -0.75 . . . . 0.0 111.07 177.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 43.85 -168.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.814 0 O-C-N 121.34 -0.85 . . . . 0.0 111.5 179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.9 mp 52.47 -88.75 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.444 -0.785 . . . . 0.0 111.233 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -135.66 109.44 8.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.018 -1.052 . . . . 0.0 110.22 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -97.25 30.56 2.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.224 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 52.85 27.19 5.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.419 -0.801 . . . . 0.0 110.762 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.64 164.48 12.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.56 -0.712 . . . . 0.0 110.21 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 146.31 50.34 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.84 169.42 22.47 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 53.35 -179.17 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.46 -1.023 . . . . 0.0 110.749 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.15 -158.94 0.26 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.59 -0.694 . . . . 0.0 110.162 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -104.99 28.15 7.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.537 -0.727 . . . . 0.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -123.37 28.52 7.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.512 -0.742 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -168.49 46.22 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.583 -0.698 . . . . 0.0 110.178 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -77.38 -68.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.56 -0.713 . . . . 0.0 110.194 178.319 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.03 92.03 3.69 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.595 -0.691 . . . . 0.0 110.116 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.57 103.8 12.44 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.609 -0.682 . . . . 0.0 110.189 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.19 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.596 -0.69 . . . . 0.0 110.204 178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.58 -33.81 2.1 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -123.94 28.52 6.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.944 . . . . 0.0 110.316 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.87 134.03 2.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.557 -0.714 . . . . 0.0 110.19 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -89.88 50.83 1.95 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.517 -0.74 . . . . 0.0 110.212 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -164.43 75.36 0.3 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.54 -0.725 . . . . 0.0 110.236 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.41 -65.26 0.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.544 -0.723 . . . . 0.0 110.158 177.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 53.62 21.69 2.7 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.365 -0.834 . . . . 0.0 111.318 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 53.45 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.391 -0.818 . . . . 0.0 110.774 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HG ' ' CE1' ' A' ' 74' ' ' TYR . 6.7 tp -77.41 -25.46 50.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.599 -0.688 . . . . 0.0 110.38 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 p -72.03 64.52 0.53 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.287 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -158.7 -68.16 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.558 -0.714 . . . . 0.0 109.89 177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.0 t -63.18 -17.28 62.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.518 -0.738 . . . . 0.0 110.645 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.416 ' CE1' ' HG ' ' A' ' 70' ' ' LEU . 64.9 m-85 -94.57 26.28 3.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.267 -0.896 . . . . 0.0 110.486 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.2 mt -116.74 162.73 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.409 -0.807 . . . . 0.0 109.938 178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.407 ' CG2' ' CB ' ' A' ' 31' ' ' ASP . 31.4 pt -124.89 -35.03 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.34 -152.7 9.56 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' OE1' ' CE1' ' A' ' 27' ' ' HIS . 10.9 mt-10 -126.56 -167.71 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.632 -0.923 . . . . 0.0 110.124 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.0 tt -106.83 166.31 10.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.557 -0.715 . . . . 0.0 109.984 176.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 19.3 t-80 -81.07 133.01 55.05 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.728 . . . . 0.0 110.189 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HD3' ' CD2' ' A' ' 6' ' ' TYR . 50.4 Cg_exo -53.06 -23.73 22.89 Favored 'Trans proline' 0 N--CA 1.492 1.403 0 O-C-N 123.086 1.045 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.58 -55.16 37.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.377 -0.827 . . . . 0.0 110.532 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.89 -24.0 41.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.56 -0.713 . . . . 0.0 110.387 177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.6 tpm_? -58.03 -61.89 2.21 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.347 -0.846 . . . . 0.0 110.061 177.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -79.8 -149.0 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.652 -0.655 . . . . 0.0 109.445 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.55 -92.62 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.915 . . . . 0.0 109.361 175.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 33.8 mm -136.67 -45.58 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.896 -1.128 . . . . 0.0 109.958 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 96.15 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.612 -0.68 . . . . 0.0 110.279 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.36 62.44 0.54 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.543 -0.723 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -63.42 0.24 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.27 1.142 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.5 p -168.59 -158.6 0.23 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.767 . . . . 0.0 110.178 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.88 149.66 27.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.551 -0.718 . . . . 0.0 110.283 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 p -147.82 26.96 0.99 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.506 -0.746 . . . . 0.0 110.337 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.409 178.54 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.06 0.457 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mttt 55.52 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.688 -0.633 . . . . 0.0 110.926 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.8 -164.04 0.08 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.932 -1.105 . . . . 0.0 110.774 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 74.8 t -123.34 141.7 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.565 -0.709 . . . . 0.0 110.054 178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -117.96 156.8 27.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.62 -0.675 . . . . 0.0 109.751 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.18 93.34 9.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 110.34 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -75.64 -168.53 0.87 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.633 -0.667 . . . . 0.0 110.037 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p -125.94 163.84 22.09 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -72.74 -38.48 67.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.66 -0.65 . . . . 0.0 110.083 177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.57 -27.62 67.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 0.0 110.298 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -90.28 -30.84 17.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.549 -0.719 . . . . 0.0 110.755 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.21 -54.16 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.477 -0.764 . . . . 0.0 110.378 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -55.54 -22.21 20.51 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.483 -0.761 . . . . 0.0 110.96 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -59.27 -27.45 65.83 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.462 -0.774 . . . . 0.0 110.412 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.8 m-70 -79.82 160.08 26.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 177.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.62 -42.42 0.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.564 -0.71 . . . . 0.0 110.461 178.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -169.04 -37.59 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.5 -0.75 . . . . 0.0 110.832 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -50.32 100.95 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 62.03 136.2 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.564 0.697 . . . . 0.0 110.866 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m 51.04 -173.4 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.371 -0.831 . . . . 0.0 111.054 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.2 t -157.4 118.79 3.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.517 -0.739 . . . . 0.0 110.35 176.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -93.7 75.6 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.769 . . . . 0.0 109.782 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 52.4 t -79.34 159.83 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.587 -0.696 . . . . 0.0 109.414 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.3 mp -137.99 136.29 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.686 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' A' ' 30' ' ' TYR . 3.8 mm? -89.02 55.86 3.49 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 57.8 17.0 3.89 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.765 -0.584 . . . . 0.0 111.196 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -177.34 -62.31 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.086 -1.009 . . . . 0.0 110.088 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.04 127.45 33.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.623 -0.673 . . . . 0.0 110.414 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 60.3 t -87.81 128.95 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.552 -0.718 . . . . 0.0 109.583 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.417 ' CE1' HD21 ' A' ' 25' ' ' LEU . 25.9 m-85 -106.87 137.69 44.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.682 . . . . 0.0 111.289 -178.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.65 84.12 1.87 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 169.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.61 27.94 2.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.591 -0.693 . . . . 0.0 110.602 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -58.86 -26.69 64.45 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.331 -0.856 . . . . 0.0 110.45 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -84.74 -29.08 25.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.193 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 83.2 t80 -84.1 -34.62 24.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.529 -0.732 . . . . 0.0 110.195 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -42.92 96.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.556 -0.715 . . . . 0.0 110.265 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.57 -21.48 38.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.709 -0.619 . . . . 0.0 110.733 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -79.44 -27.31 41.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 15.7 m80 -111.78 95.66 29.41 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.067 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.58 102.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.398 1.21 . . . . 0.0 111.009 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.13 -73.39 0.17 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.95 -50.99 3.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -83.41 -46.6 12.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.683 -0.893 . . . . 0.0 110.234 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -59.41 -26.1 64.87 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.47 -0.769 . . . . 0.0 110.549 178.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 33.7 m -88.95 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.497 -0.752 . . . . 0.0 110.069 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 53.79 27.61 7.27 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.296 -0.877 . . . . 0.0 110.72 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 67.16 1.04 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.476 -0.765 . . . . 0.0 110.729 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.65 -179.6 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.418 -0.801 . . . . 0.0 110.711 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -168.13 172.81 8.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.531 -0.731 . . . . 0.0 110.199 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.8 46.95 25.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.802 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.12 0.36 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.34 65.06 1.77 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -149.52 -167.92 2.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.561 -0.964 . . . . 0.0 110.234 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -168.95 1.89 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.622 -0.674 . . . . 0.0 110.213 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.2 m -134.23 85.12 2.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.57 -0.707 . . . . 0.0 110.243 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 -21.86 63.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.555 -0.716 . . . . 0.0 110.638 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.2 m-20 -129.45 170.21 13.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.366 -0.833 . . . . 0.0 110.212 178.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -113.37 141.65 46.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.594 -0.691 . . . . 0.0 110.308 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 52.79 -166.1 0.07 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.468 -0.77 . . . . 0.0 110.802 178.136 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.51 123.42 48.4 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.589 -0.695 . . . . 0.0 110.243 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -62.01 166.76 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.532 -0.73 . . . . 0.0 110.132 178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 142.61 -125.33 2.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -81.88 123.69 29.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.554 -0.969 . . . . 0.0 110.229 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -166.15 106.22 0.68 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.533 -0.729 . . . . 0.0 110.222 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.3 t -107.72 50.71 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.52 -0.738 . . . . 0.0 110.23 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -107.32 -163.8 0.93 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.647 -0.658 . . . . 0.0 110.27 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.54 93.44 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.598 -0.688 . . . . 0.0 110.312 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.7 -36.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 110.77 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -166.56 155.7 11.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.315 -0.866 . . . . 0.0 110.19 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 3.3 mm? -82.67 -28.3 30.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 110.324 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -72.07 64.42 0.53 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 110.195 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -168.88 -41.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 110.116 177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -96.53 -23.85 16.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 110.58 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 11.9 m-85 -90.76 48.14 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 110.252 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 30' ' ' TYR . 71.7 mt -112.83 162.71 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.465 -0.772 . . . . 0.0 109.817 178.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.6 pt -119.99 -31.82 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.448 -0.783 . . . . 0.0 110.968 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.21 -155.27 15.55 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 178.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -126.44 -167.21 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.607 -0.937 . . . . 0.0 110.422 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.3 tp -109.27 158.24 18.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.064 177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -83.48 135.91 43.24 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 109.622 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.87 -21.75 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 O-C-N 123.132 1.07 . . . . 0.0 111.858 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -63.66 -13.68 44.9 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.267 -0.896 . . . . 0.0 111.735 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -125.46 -3.13 7.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.0 111.415 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.08 175.84 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.151 -0.968 . . . . 0.0 110.941 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 t -56.16 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.586 -0.696 . . . . 0.0 111.261 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 56.38 88.99 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.822 . . . . 0.0 110.607 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -114.49 61.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.186 0.517 . . . . 0.0 110.105 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.57 114.94 20.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.445 -0.784 . . . . 0.0 110.13 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -82.15 171.34 12.17 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.583 -0.698 . . . . 0.0 110.2 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.91 -176.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 O-C-N 123.435 1.229 . . . . 0.0 111.035 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -103.3 51.74 0.79 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.495 -0.753 . . . . 0.0 110.139 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 56.53 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.629 -0.669 . . . . 0.0 110.762 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.7 m -82.12 169.07 17.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.172 -0.955 . . . . 0.0 110.303 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.231 177.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.086 0.469 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -167.75 109.59 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.56 -0.712 . . . . 0.0 110.288 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 49.56 -165.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.389 -0.82 . . . . 0.0 111.208 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.72 150.83 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.599 -0.688 . . . . 0.0 110.112 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.12 -167.9 1.33 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.719 -0.613 . . . . 0.0 109.568 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.84 87.53 2.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.371 -0.83 . . . . 0.0 110.29 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.426 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 31.0 m-85 -61.4 -164.27 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.626 -0.671 . . . . 0.0 110.085 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.95 154.37 37.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.467 -0.771 . . . . 0.0 110.393 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.9 tp -63.86 -28.44 69.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.628 -0.67 . . . . 0.0 110.25 178.025 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -74.7 -28.01 60.63 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.549 -0.72 . . . . 0.0 110.275 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 2.2 mm-40 -71.57 -28.73 64.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.212 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.7 mt -94.66 -29.32 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.564 -0.71 . . . . 0.0 109.991 178.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.8 20.05 5.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.561 -0.712 . . . . 0.0 111.081 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -133.21 31.05 3.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.246 -0.909 . . . . 0.0 110.281 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 4.9 m-70 -116.86 81.21 1.6 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 178.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -28.62 68.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.514 -0.741 . . . . 0.0 110.277 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -168.15 -66.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 p 49.57 31.78 4.42 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.527 -0.733 . . . . 0.0 111.112 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt 66.56 -66.78 0.17 Allowed 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.513 -0.742 . . . . 0.0 110.711 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -67.37 -177.98 0.79 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 110.119 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -137.74 126.09 23.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.564 -0.71 . . . . 0.0 110.294 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -99.89 84.64 2.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.583 -0.698 . . . . 0.0 110.249 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 64.6 t -85.8 165.38 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.508 -0.745 . . . . 0.0 109.991 177.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -140.29 143.54 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.551 -0.718 . . . . 0.0 109.672 177.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 mp -123.77 -79.73 0.62 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.458 -0.776 . . . . 0.0 110.495 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 54' ' ' ALA . 12.3 m-70 -108.41 78.05 1.14 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.297 -0.877 . . . . 0.0 109.846 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 54.63 22.24 3.9 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.0 110.677 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -119.84 141.24 49.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.614 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.5 t -93.49 140.74 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.547 -0.721 . . . . 0.0 110.066 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.474 ' CE2' ' CD1' ' A' ' 75' ' ' ILE . 10.1 m-85 -113.96 132.91 55.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.689 -0.632 . . . . 0.0 111.031 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -108.98 86.06 2.21 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.56 31.06 2.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.656 -0.653 . . . . 0.0 110.515 -175.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -62.91 -27.17 69.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.45 -0.781 . . . . 0.0 110.357 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -88.22 -28.94 20.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.14 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' CE1' HD11 ' A' ' 70' ' ' LEU . 37.3 t80 -79.65 -27.28 40.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.58 -0.7 . . . . 0.0 110.238 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.81 -28.8 67.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.424 -0.797 . . . . 0.0 110.29 178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -112.0 29.61 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.597 -0.689 . . . . 0.0 110.156 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.84 -53.41 2.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 110.305 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -117.44 80.56 13.01 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.14 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.473 1.249 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.75 -94.36 2.14 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.25 50.19 0.79 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 56.55 -85.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.713 -0.875 . . . . 0.0 110.759 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -94.3 107.58 19.52 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.154 -0.966 . . . . 0.0 110.157 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.96 -24.55 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.543 -0.723 . . . . 0.0 110.531 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.0 mt -61.62 -70.62 0.18 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.446 -0.784 . . . . 0.0 110.434 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -107.56 -34.37 7.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.516 -0.74 . . . . 0.0 110.291 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 52.94 32.68 13.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.466 -0.771 . . . . 0.0 110.769 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 53.67 100.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.51 -0.744 . . . . 0.0 110.702 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.53 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.43 -0.794 . . . . 0.0 110.703 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -36.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.32 132.92 1.57 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -162.85 74.36 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.985 . . . . 0.0 110.292 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 26' ' ' HIS . . . -148.37 -49.69 0.16 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.734 . . . . 0.0 110.205 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.2 m -111.13 174.16 5.99 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.521 -0.737 . . . . 0.0 110.188 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.41 43.28 1.52 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.562 -0.711 . . . . 0.0 110.184 177.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -87.88 -28.26 21.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.573 -0.705 . . . . 0.0 110.27 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 59' ' ' GLU . 29.4 p90 -59.69 -26.79 65.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.463 -0.773 . . . . 0.0 110.452 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 7.2 tt0 52.1 80.67 0.09 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.36 -0.837 . . . . 0.0 110.841 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.33 67.69 0.88 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.378 -0.826 . . . . 0.0 110.831 177.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 23.7 m 36.73 35.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.491 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.45 94.71 2.18 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 178.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 1.9 t-80 -87.94 -34.07 18.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.561 -0.964 . . . . 0.0 110.205 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.52 -84.71 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.661 -0.649 . . . . 0.0 110.721 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -60.68 158.51 12.51 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.103 -0.998 . . . . 0.0 110.26 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.63 93.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.413 -0.805 . . . . 0.0 110.798 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.94 85.7 6.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.702 . . . . 0.0 110.293 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -148.98 128.19 12.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.527 -0.733 . . . . 0.0 110.235 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.14 118.65 10.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.601 -0.687 . . . . 0.0 110.349 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.421 HD11 ' CE1' ' A' ' 35' ' ' PHE . 6.6 mt -90.04 -27.85 19.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.545 -0.722 . . . . 0.0 110.253 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -72.08 64.67 0.54 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.062 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -169.42 -39.58 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.445 -0.784 . . . . 0.0 110.27 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -98.29 -16.04 19.54 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.44 -0.788 . . . . 0.0 110.834 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.78 23.4 4.8 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.292 -0.88 . . . . 0.0 110.654 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 9.0 mm -88.39 163.73 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.332 -0.855 . . . . 0.0 109.402 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.5 pt -121.72 -33.01 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.428 -0.795 . . . . 0.0 111.024 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.426 ' HA3' ' CE2' ' A' ' 7' ' ' TYR . . . -179.06 -162.2 27.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -118.97 -173.25 2.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.621 -0.929 . . . . 0.0 110.205 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.0 tt -108.36 150.28 27.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.676 . . . . 0.0 110.079 177.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -60.36 111.57 4.21 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.611 -0.681 . . . . 0.0 110.147 178.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.13 -24.01 24.39 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 O-C-N 123.196 1.103 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.24 -28.11 66.39 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.464 -0.773 . . . . 0.0 110.448 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -102.62 -24.68 13.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.566 -0.709 . . . . 0.0 110.434 177.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -56.54 -64.31 0.91 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.392 -0.818 . . . . 0.0 109.909 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -148.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -122.66 -95.13 0.48 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.098 -1.001 . . . . 0.0 109.732 175.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 39.9 mm -137.22 72.46 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.931 -1.106 . . . . 0.0 109.933 177.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.95 82.66 6.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.541 -0.724 . . . . 0.0 110.268 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.39 94.18 23.55 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.635 -0.666 . . . . 0.0 110.167 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.84 110.9 0.52 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 O-C-N 123.392 1.206 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -115.65 144.24 44.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.564 -0.71 . . . . 0.0 110.196 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.88 -26.23 9.03 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.584 -0.698 . . . . 0.0 110.442 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -133.49 85.14 2.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.757 . . . . 0.0 110.196 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.244 178.064 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.132 0.491 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -126.38 97.27 4.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.499 -0.751 . . . . 0.0 110.136 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -101.33 143.64 31.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.614 -0.679 . . . . 0.0 110.228 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.4 t 53.99 103.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.509 -0.744 . . . . 0.0 110.578 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.5 tttt -85.49 161.0 19.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.578 -0.701 . . . . 0.0 109.432 173.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -87.16 93.45 9.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.442 -0.786 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.41 ' CE2' HD13 ' A' ' 76' ' ' ILE . 49.6 m-85 -76.07 -164.05 0.34 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.683 -0.635 . . . . 0.0 109.326 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 50.8 p -142.3 148.24 37.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.326 -0.859 . . . . 0.0 110.621 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 tp -59.9 -26.79 66.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.698 -0.626 . . . . 0.0 110.379 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.39 -51.27 12.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.547 -0.721 . . . . 0.0 110.407 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -30.93 70.66 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.1 mt -76.88 -29.14 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.95 177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.91 20.79 4.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.587 -0.695 . . . . 0.0 111.017 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -128.44 29.65 5.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.202 -0.936 . . . . 0.0 110.258 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -124.42 91.61 3.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.61 -0.682 . . . . 0.0 110.161 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -112.87 -31.57 6.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.311 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.89 -156.6 0.12 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.499 -0.751 . . . . 0.0 110.242 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.7 m 52.75 -176.22 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.492 -0.755 . . . . 0.0 110.837 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -113.6 19.66 16.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.555 -0.715 . . . . 0.0 110.733 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.96 99.29 10.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.283 -0.885 . . . . 0.0 110.293 178.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.6 t -76.77 124.26 27.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.631 -0.668 . . . . 0.0 110.265 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -102.19 80.95 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.535 -0.728 . . . . 0.0 110.332 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 62.3 t -79.54 144.43 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.452 -0.78 . . . . 0.0 109.219 175.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 mt -114.09 136.3 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.425 -0.797 . . . . 0.0 110.574 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 1.8 mm? -104.81 63.51 0.72 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.18 29.03 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' NH1' ' A' ' 84' ' ' ARG . 21.7 t-160 -177.83 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 0.0 109.763 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -82.86 160.57 22.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 110.707 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.65 127.81 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.767 -0.583 . . . . 0.0 109.505 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.423 ' CE2' HG12 ' A' ' 75' ' ' ILE . 16.4 m-85 -103.76 116.84 33.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.636 -0.665 . . . . 0.0 111.123 -176.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -98.8 73.22 1.99 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.75 65.5 4.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.775 -0.578 . . . . 0.0 109.987 -175.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 68.1 p -63.28 -50.57 69.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.73 . . . . 0.0 110.412 178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -59.1 -27.92 66.03 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.547 -0.721 . . . . 0.0 110.368 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CZ ' ' ND1' ' A' ' 39' ' ' HIS . 22.5 t80 -73.17 -39.49 65.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.565 -0.709 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.19 -25.96 59.85 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 110.521 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.53 -29.04 28.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 110.627 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -65.84 0.95 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.357 -0.839 . . . . 0.0 109.988 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CZ ' ' A' ' 35' ' ' PHE . 76.7 m80 -79.83 169.74 18.81 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.481 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.7 -30.15 36.15 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 O-C-N 123.198 1.104 . . . . 0.0 110.579 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.23 -61.57 2.66 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 173.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 25.22 27.44 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -145.88 -82.85 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.424 -1.045 . . . . 0.0 110.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -100.31 72.6 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.548 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.5 p -110.28 136.73 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.611 -0.681 . . . . 0.0 110.575 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.405 HD13 ' CE1' ' A' ' 35' ' ' PHE . 1.0 OUTLIER 47.44 53.11 11.45 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.519 -0.738 . . . . 0.0 111.555 178.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 53.17 34.61 17.85 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.429 -0.795 . . . . 0.0 110.693 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 52.95 48.51 22.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.379 -0.825 . . . . 0.0 110.767 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 52.8 -165.79 0.07 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.452 -0.78 . . . . 0.0 110.764 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.21 128.71 28.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.741 . . . . 0.0 110.224 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.62 -86.99 0.05 OUTLIER Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.69 -91.18 0.03 OUTLIER Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -149.7 -73.13 0.18 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.58 -0.953 . . . . 0.0 110.243 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.62 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.436 -0.79 . . . . 0.0 110.805 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -102.33 28.43 5.92 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -81.83 -28.27 33.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.231 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -163.67 142.66 7.99 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.587 -0.695 . . . . 0.0 110.212 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.423 ' CE1' HD13 ' A' ' 25' ' ' LEU . 30.7 m-85 -110.63 -29.28 8.1 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.503 -0.748 . . . . 0.0 110.098 178.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -145.83 68.81 1.21 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 110.107 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.35 93.31 5.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.633 -0.667 . . . . 0.0 110.386 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.75 126.05 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.588 -0.695 . . . . 0.0 110.147 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.49 104.36 0.76 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -168.4 42.34 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.62 -0.929 . . . . 0.0 110.278 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -168.28 31.73 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 110.209 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.39 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.543 -0.723 . . . . 0.0 111.048 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.2 -81.43 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.531 -0.731 . . . . 0.0 110.667 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 168.77 0.9 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.3 tpt85 -168.28 -40.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.595 -0.691 . . . . 0.0 110.363 178.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.78 79.73 0.11 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.566 -0.709 . . . . 0.0 110.181 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.419 HD13 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -91.22 23.51 3.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.513 -0.742 . . . . 0.0 111.036 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -69.48 73.93 0.37 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.377 -0.827 . . . . 0.0 110.059 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -167.64 -45.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.561 -0.712 . . . . 0.0 110.351 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.8 p -93.84 20.37 7.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.509 -0.745 . . . . 0.0 110.687 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' CD1' HD13 ' A' ' 70' ' ' LEU . 55.6 m-85 -134.01 28.14 3.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.43 -0.794 . . . . 0.0 109.908 177.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.8 mt -109.72 163.83 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.523 -0.735 . . . . 0.0 110.517 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.414 HG22 HD12 ' A' ' 76' ' ' ILE . 30.4 pt -124.82 -35.59 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.71 -0.619 . . . . 0.0 110.756 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.54 -167.66 40.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -113.26 153.3 28.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.719 -0.871 . . . . 0.0 110.165 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.6 pp -74.76 177.71 5.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.569 -0.707 . . . . 0.0 110.483 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 13.2 t-80 -79.05 129.71 72.11 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.088 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.76 -24.19 17.55 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 O-C-N 123.194 1.102 . . . . 0.0 111.473 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.25 -28.43 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.391 -0.818 . . . . 0.0 111.113 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -117.08 -12.01 10.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.797 . . . . 0.0 111.04 177.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' NH1' ' CD2' ' A' ' 27' ' ' HIS . 7.0 tmm_? -61.03 -64.15 1.05 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.476 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -90.31 -92.72 0.13 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.45 -0.781 . . . . 0.0 110.356 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -175.54 59.16 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.752 -1.218 . . . . 0.0 110.136 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mp -79.99 -20.34 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.334 -0.854 . . . . 0.0 110.463 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 68.58 0.44 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.376 -0.827 . . . . 0.0 110.203 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.0 99.18 2.56 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.488 -0.758 . . . . 0.0 109.998 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.29 175.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.375 1.197 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t 53.67 179.98 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.396 -0.815 . . . . 0.0 110.672 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.57 98.06 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.434 -0.791 . . . . 0.0 110.879 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 53.0 m -158.56 41.94 0.26 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.711 . . . . 0.0 110.173 177.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.183 178.124 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.161 0.505 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 78' ' ' GLU . 76.9 t 53.64 101.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.401 -0.812 . . . . 0.0 110.639 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -89.61 151.12 22.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 109.768 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.91 85.28 5.56 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.539 -0.726 . . . . 0.0 110.303 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -61.74 -168.69 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.709 . . . . 0.0 109.966 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.3 p -125.79 167.72 14.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.381 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.071 HD12 HD11 ' A' ' 79' ' ' LEU . 3.6 tp -76.11 -35.37 59.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.655 -0.653 . . . . 0.0 110.285 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -69.61 -29.99 67.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.51 -0.744 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.63 -28.95 51.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 79' ' ' LEU . 80.0 mt -88.94 -34.31 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -90.35 48.69 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -150.35 28.88 0.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.489 -0.757 . . . . 0.0 110.208 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 74.9 m-70 -101.66 48.1 0.89 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.591 -0.693 . . . . 0.0 110.253 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -80.6 -29.63 36.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.518 -0.739 . . . . 0.0 110.146 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.95 -157.97 0.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.55 -0.719 . . . . 0.0 110.152 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 52.99 -159.34 0.13 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.422 -0.799 . . . . 0.0 110.78 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -121.76 -155.2 0.63 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.552 -0.718 . . . . 0.0 109.691 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m 53.13 98.53 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.257 -0.902 . . . . 0.0 110.802 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.4 t -75.64 136.82 40.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 110.347 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CH2' HD12 ' A' ' 76' ' ' ILE . 4.8 m95 -107.29 76.64 1.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.58 -0.7 . . . . 0.0 110.13 177.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' A' ' 46' ' ' LEU . 58.1 t -79.85 166.89 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.717 . . . . 0.0 109.918 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -134.25 138.16 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.702 . . . . 0.0 109.89 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.5 mm? -86.16 -76.2 0.35 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.582 -0.699 . . . . 0.0 109.993 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -125.29 -53.01 1.61 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.477 -0.764 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -141.31 20.65 2.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.7 -0.625 . . . . 0.0 110.231 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -119.03 140.23 50.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.413 -0.805 . . . . 0.0 110.169 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 76' ' ' ILE . 56.9 t -91.79 126.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.61 -0.681 . . . . 0.0 109.749 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -106.45 118.01 35.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 11.2 t0 -95.07 73.74 3.44 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -81.72 57.42 3.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.646 -0.658 . . . . 0.0 110.164 -175.316 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.2 t -69.4 -25.86 64.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.392 -0.817 . . . . 0.0 110.547 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.48 -26.08 38.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.526 -0.734 . . . . 0.0 110.396 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 72.6 t80 -84.66 -28.97 26.04 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.768 . . . . 0.0 110.192 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 ' HG2' ' A' ' 43' ' ' GLU . 5.8 tt -60.26 -34.09 73.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.55 -0.719 . . . . 0.0 110.238 178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -104.17 28.71 6.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.237 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -110.1 -48.8 3.14 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.583 -0.698 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.416 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 41.1 m80 -115.73 84.48 12.8 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.593 -0.692 . . . . 0.0 110.133 177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.05 91.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 O-C-N 123.408 1.215 . . . . 0.0 111.05 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.04 -46.32 0.07 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.81 36.28 0.23 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG2' HD21 ' A' ' 36' ' ' LEU . 7.5 mt-10 55.53 -87.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.68 -0.894 . . . . 0.0 110.807 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.7 106.49 18.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.084 -1.01 . . . . 0.0 110.355 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.62 26.6 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.361 -0.837 . . . . 0.0 110.481 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.456 -0.777 . . . . 0.0 110.299 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.089 0.471 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' ' CE1' ' A' ' 74' ' ' TYR . 1.2 tt -81.35 -27.41 34.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.568 -0.708 . . . . 0.0 110.306 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -94.54 43.35 1.1 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 0.0 110.205 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.9 tttt -146.11 -67.58 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.57 -0.706 . . . . 0.0 110.154 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.627 HG23 ' CD1' ' A' ' 74' ' ' TYR . 10.8 t -67.05 -12.6 60.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.504 -0.748 . . . . 0.0 111.011 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.627 ' CD1' HG23 ' A' ' 73' ' ' THR . 78.3 m-85 -94.48 25.27 4.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.215 -0.928 . . . . 0.0 110.453 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.5 mt -114.08 164.88 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.36 -0.838 . . . . 0.0 110.403 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.531 HD12 ' CH2' ' A' ' 22' ' ' TRP . 29.1 pt -127.62 -36.7 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.867 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.12 -151.37 9.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' HG13 ' A' ' 4' ' ' VAL . 22.8 mt-10 -120.54 -175.41 3.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.997 . . . . 0.0 110.318 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -109.86 147.12 33.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.597 -0.689 . . . . 0.0 110.162 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.461 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -61.19 112.16 5.39 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.535 -0.728 . . . . 0.0 109.969 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.05 -26.11 24.58 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 O-C-N 123.103 1.054 . . . . 0.0 111.1 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.37 -25.84 64.59 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.587 -0.696 . . . . 0.0 110.527 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.609 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -99.74 -22.64 15.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.469 -0.769 . . . . 0.0 110.724 178.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.676 ' HG2' HD22 ' A' ' 79' ' ' LEU . 5.9 mmm180 -56.11 -172.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.334 -0.854 . . . . 0.0 110.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 m -74.03 76.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.593 -0.692 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.61 75.69 0.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.157 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 87' ' ' ILE . 50.8 mm . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 120.907 0.384 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 5' ' ' LYS . 87.0 t 56.79 166.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 121.534 0.683 . . . . 0.0 110.704 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 4' ' ' VAL . 66.1 tttt -144.48 142.32 30.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.575 -0.703 . . . . 0.0 109.649 177.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -79.9 78.89 6.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.558 -0.713 . . . . 0.0 110.346 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -61.76 -168.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.635 -0.666 . . . . 0.0 109.914 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HD12 ' A' ' 12' ' ' ILE . 75.7 p -125.02 177.34 6.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.183 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.681 HD11 HD21 ' A' ' 79' ' ' LEU . 3.9 mp -83.32 -44.25 15.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.611 -0.68 . . . . 0.0 110.169 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.67 -26.95 67.47 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 110.458 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.19 -40.85 21.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.477 -0.765 . . . . 0.0 110.281 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.9 mt -77.47 -26.78 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.595 -0.69 . . . . 0.0 110.217 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.19 49.13 1.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.461 -0.774 . . . . 0.0 110.341 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -159.95 32.47 0.18 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.536 -0.728 . . . . 0.0 110.251 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -121.7 92.96 3.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.541 -0.725 . . . . 0.0 110.206 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -167.7 32.67 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.56 -0.713 . . . . 0.0 110.308 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -168.57 -40.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.566 -0.708 . . . . 0.0 110.256 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 p -82.2 57.91 3.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.465 -0.772 . . . . 0.0 110.333 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 55.85 173.67 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.268 -0.895 . . . . 0.0 110.713 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 t 53.45 179.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.614 -0.679 . . . . 0.0 110.844 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -158.51 133.73 8.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 110.302 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -104.42 75.45 1.24 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.524 -0.735 . . . . 0.0 110.094 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.59 145.04 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.5 -0.75 . . . . 0.0 109.897 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -116.78 138.18 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 0.0 109.797 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.755 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -88.54 -38.21 15.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.605 -0.684 . . . . 0.0 109.909 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -170.08 -39.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.573 -0.704 . . . . 0.0 109.688 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -138.98 -44.29 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.728 -0.607 . . . . 0.0 109.71 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.42 133.64 48.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 110.334 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 128.18 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.694 -0.629 . . . . 0.0 109.522 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.755 ' CE1' HD23 ' A' ' 25' ' ' LEU . 21.6 m-85 -99.69 124.58 45.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.731 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' HB2' HG21 ' A' ' 76' ' ' ILE . 38.9 t70 -98.15 79.22 2.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 170.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.33 48.41 1.63 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.631 -0.668 . . . . 0.0 110.619 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -69.55 -23.99 63.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 0.0 110.426 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -26.73 31.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.469 -0.769 . . . . 0.0 110.276 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.469 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 57.2 t80 -90.52 17.15 7.75 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.463 -0.773 . . . . 0.0 110.971 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 43' ' ' GLU . 1.1 tt -106.52 -29.28 9.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.243 -0.911 . . . . 0.0 110.21 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -97.62 -25.51 15.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.596 -0.69 . . . . 0.0 110.475 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.79 -28.21 40.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.431 -0.793 . . . . 0.0 110.308 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.469 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 28.7 m80 -117.78 82.66 16.88 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.547 -0.721 . . . . 0.0 110.228 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.0 103.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 O-C-N 123.372 1.196 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -127.02 -44.91 0.23 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.3 90.22 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' HD11 ' A' ' 36' ' ' LEU . 22.4 mt-10 56.28 -86.7 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.588 -0.948 . . . . 0.0 110.765 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.19 96.5 7.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.068 -1.02 . . . . 0.0 110.179 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 46' ' ' LEU . 34.6 m -73.13 -22.95 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.439 -0.788 . . . . 0.0 110.603 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.438 -0.789 . . . . 0.0 110.361 178.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.071 0.462 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 4.5 tp -81.22 -25.34 36.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.631 -0.668 . . . . 0.0 110.439 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 p -72.06 64.83 0.54 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.498 -0.751 . . . . 0.0 110.04 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -155.23 -46.13 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 110.039 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -100.12 27.26 5.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.585 -0.697 . . . . 0.0 110.105 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -129.61 28.82 5.12 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.56 -0.713 . . . . 0.0 110.034 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.6 mt -110.4 164.55 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.528 -0.732 . . . . 0.0 110.157 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 31' ' ' ASP . 33.9 pt -125.44 -34.66 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.573 -0.704 . . . . 0.0 111.066 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -178.83 -158.58 21.6 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.91 -169.57 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.949 . . . . 0.0 110.225 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.681 HD21 HD11 ' A' ' 9' ' ' LEU . 9.1 tt -106.36 150.8 25.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.577 -0.702 . . . . 0.0 110.115 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -58.78 110.78 2.89 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.527 -0.733 . . . . 0.0 110.256 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.38 -24.1 26.47 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.15 1.079 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -27.31 64.89 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.521 -0.737 . . . . 0.0 110.502 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.84 -28.16 10.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.466 -0.771 . . . . 0.0 110.348 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.524 ' HB2' HD22 ' A' ' 79' ' ' LEU . 2.1 ttp180 -75.74 -41.11 54.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 0.0 110.22 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -154.38 0.28 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.598 -0.689 . . . . 0.0 110.131 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.78 79.13 1.47 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 109.967 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 87' ' ' ILE . 3.3 mp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.308 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.129 0.49 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.1 t -143.71 135.3 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.516 -0.74 . . . . 0.0 110.065 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -104.28 145.33 30.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.688 -0.632 . . . . 0.0 109.542 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.78 83.65 5.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.506 -0.747 . . . . 0.0 110.426 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -73.34 135.07 44.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.651 -0.655 . . . . 0.0 109.893 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -74.95 163.64 27.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.529 -0.732 . . . . 0.0 110.358 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.7 tp -78.78 -26.98 44.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.428 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -75.87 -27.69 57.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.482 -0.761 . . . . 0.0 110.371 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 7.1 tt0 -75.13 -39.54 60.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.502 -0.749 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.698 HD12 HD12 ' A' ' 79' ' ' LEU . 80.6 mt -68.06 -26.29 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.503 -0.748 . . . . 0.0 110.242 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.12 48.72 1.6 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 110.407 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.79 28.87 0.27 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.448 -0.782 . . . . 0.0 110.096 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 57.6 m-70 -114.65 -167.17 1.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.304 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -143.87 -167.65 2.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.539 -0.726 . . . . 0.0 110.12 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -105.12 -156.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.534 -0.729 . . . . 0.0 110.208 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.38 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.613 -0.68 . . . . 0.0 110.918 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 33' ' ' THR . 17.6 tttm -58.03 -34.41 70.03 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.22 -0.925 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -168.0 166.66 13.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.506 -0.746 . . . . 0.0 110.26 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.724 ' HB ' HD11 ' A' ' 36' ' ' LEU . 8.5 t -140.96 122.19 14.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.532 -0.73 . . . . 0.0 110.466 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.481 ' CE3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -99.39 98.24 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 0.0 109.991 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 46' ' ' LEU . 58.1 t -103.43 127.75 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.564 -0.71 . . . . 0.0 110.382 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 25' ' ' LEU . 40.7 mm -85.78 149.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.544 -0.722 . . . . 0.0 110.132 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -126.0 -76.97 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.557 -0.714 . . . . 0.0 109.633 177.447 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 15.7 p80 -135.79 91.58 2.72 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.478 -0.764 . . . . 0.0 109.338 174.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 23.3 t-160 55.22 22.02 4.42 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.426 -0.797 . . . . 0.0 110.506 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -127.55 149.82 49.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.384 -0.822 . . . . 0.0 110.013 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CE3' ' A' ' 22' ' ' TRP . 48.8 t -111.54 133.75 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.011 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.475 ' HB3' HD11 ' A' ' 32' ' ' LEU . 12.8 m-85 -106.65 136.17 46.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.603 -0.686 . . . . 0.0 111.07 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.631 ' HB2' HG21 ' A' ' 76' ' ' ILE . 19.9 t70 -110.04 84.03 1.86 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -91.79 44.12 1.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.682 -0.636 . . . . 0.0 110.723 -174.403 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.0 m -68.93 -31.24 69.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 0.0 109.957 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -73.56 -29.09 62.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.573 -0.704 . . . . 0.0 110.042 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -85.03 -27.32 26.46 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.514 -0.742 . . . . 0.0 109.879 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB ' ' A' ' 21' ' ' THR . 3.9 mt -58.44 -35.64 72.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.558 -0.713 . . . . 0.0 110.232 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.65 23.42 6.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.562 -0.711 . . . . 0.0 110.53 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -106.71 -56.26 2.22 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.463 -0.773 . . . . 0.0 109.976 177.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CE1' ' OE2' ' A' ' 38' ' ' GLU . 52.9 m80 -113.73 91.05 20.06 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.32 92.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 O-C-N 123.433 1.228 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 -60.67 0.82 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.53 -29.97 0.31 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 45' ' ' VAL . 15.1 pt-20 -164.41 -156.41 0.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.601 -0.94 . . . . 0.0 109.95 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.31 101.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.375 -0.828 . . . . 0.0 110.21 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 43' ' ' GLU . 35.4 m -92.1 19.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.554 -0.716 . . . . 0.0 111.005 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 32' ' ' LEU . 1.4 mp . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.0 110.094 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.035 0.445 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -28.71 32.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.587 -0.695 . . . . 0.0 110.278 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.4 p -82.27 -21.27 36.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.568 -0.707 . . . . 0.0 110.676 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -87.71 -20.44 26.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.404 -0.81 . . . . 0.0 110.997 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 p -99.47 -24.13 14.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.373 -0.829 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -92.19 44.77 1.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 110.484 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 71' ' ' SER . 51.9 mt -119.25 163.99 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.433 -0.792 . . . . 0.0 110.038 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.5 pt -126.6 -36.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.509 -0.745 . . . . 0.0 111.218 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -172.57 -148.69 6.36 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 35.0 mt-10 -133.29 -174.87 3.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.582 -0.952 . . . . 0.0 110.625 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.698 HD12 HD12 ' A' ' 12' ' ' ILE . 2.0 tp -100.53 150.12 23.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.597 -0.689 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -72.09 129.09 88.28 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.478 -0.764 . . . . 0.0 109.98 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 -21.25 23.5 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.217 1.114 . . . . 0.0 111.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -49.91 -48.22 51.76 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.298 -0.876 . . . . 0.0 111.486 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.648 ' HB3' HD22 ' A' ' 9' ' ' LEU . 6.6 m-20 -94.29 -26.99 16.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.458 -0.776 . . . . 0.0 110.423 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.447 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 5.5 ttp85 -61.74 -157.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.456 -0.778 . . . . 0.0 110.041 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -61.57 88.27 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.701 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 47.55 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.554 -0.717 . . . . 0.0 110.197 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.524 -0.735 . . . . 0.0 110.028 178.253 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 120.983 0.421 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.484 HG11 ' CD ' ' A' ' 78' ' ' GLU . 78.5 t 56.86 166.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.489 0.661 . . . . 0.0 110.735 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 4' ' ' VAL . 8.3 tttt -137.32 -154.38 0.54 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.737 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.11 79.58 1.76 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 110.262 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.6 -165.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.633 -0.667 . . . . 0.0 109.987 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -121.43 172.36 8.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.52 -0.737 . . . . 0.0 110.45 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.001 HD12 HD11 ' A' ' 79' ' ' LEU . 2.6 tp -78.09 -30.7 49.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.651 -0.656 . . . . 0.0 110.188 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.97 -29.13 66.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -80.53 -28.4 37.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.974 HG21 HD11 ' A' ' 24' ' ' ILE . 72.6 mt -90.21 -30.01 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.546 -0.721 . . . . 0.0 109.989 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -90.31 48.91 1.61 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.312 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 15' ' ' HIS . 32.2 pttt -154.4 29.41 0.44 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.725 . . . . 0.0 110.259 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 72.0 m-70 -119.67 30.71 6.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.517 -0.739 . . . . 0.0 110.222 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -94.73 42.89 1.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.176 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -167.86 -41.03 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.575 -0.703 . . . . 0.0 110.176 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -62.87 -159.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.509 -0.745 . . . . 0.0 110.078 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -104.49 -28.68 11.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 0.0 110.316 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.867 ' HA ' HG22 ' A' ' 33' ' ' THR . 15.4 m -83.57 104.71 13.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 110.247 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' THR . 9.6 t -79.97 118.53 21.8 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.572 -0.705 . . . . 0.0 110.457 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 6.7 m95 -95.33 73.5 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.521 -0.737 . . . . 0.0 109.911 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG23 ' OG1' ' A' ' 21' ' ' THR . 66.2 t -87.35 160.05 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.546 -0.721 . . . . 0.0 110.042 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.974 HD11 HG21 ' A' ' 12' ' ' ILE . 4.3 mt -121.2 144.9 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.548 -0.72 . . . . 0.0 109.897 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -113.43 -73.31 0.67 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.48 -0.763 . . . . 0.0 110.052 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -119.59 81.57 1.74 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.528 -0.732 . . . . 0.0 109.765 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 54.71 22.66 4.24 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.405 -0.809 . . . . 0.0 110.607 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -122.95 140.05 53.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.465 -0.772 . . . . 0.0 109.811 177.412 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.663 HG12 HD11 ' A' ' 76' ' ' ILE . 43.6 t -91.14 126.66 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.516 -0.74 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -107.68 129.78 54.98 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.675 -0.64 . . . . 0.0 111.051 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.3 t0 -102.46 77.73 1.66 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 170.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -84.13 54.62 3.01 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.69 -0.632 . . . . 0.0 110.372 -174.446 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 20' ' ' SER . 76.7 p -63.74 -58.43 6.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.357 -0.839 . . . . 0.0 110.322 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -58.54 -20.12 43.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.586 -0.696 . . . . 0.0 110.847 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.4 t80 -71.8 -28.35 63.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.315 -0.866 . . . . 0.0 110.284 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 36' ' ' LEU . 5.4 mt -68.15 -27.37 66.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.643 -0.66 . . . . 0.0 110.273 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.27 -27.92 14.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.562 -0.711 . . . . 0.0 110.428 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.71 -28.25 33.54 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.507 -0.746 . . . . 0.0 110.357 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 48.3 m80 -122.54 96.71 45.48 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.551 -0.718 . . . . 0.0 110.305 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.97 102.48 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 123.38 1.2 . . . . 0.0 111.009 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.14 -94.29 0.12 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 45' ' ' VAL . . . 98.83 -68.89 0.61 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.25 -28.21 69.0 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.989 . . . . 0.0 110.246 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.58 -54.3 4.35 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.673 . . . . 0.0 110.276 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 42' ' ' GLY . 32.6 m -60.49 167.08 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.538 -0.726 . . . . 0.0 110.232 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 32' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.541 -0.724 . . . . 0.0 111.401 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.501 2.111 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 ' CE2' ' A' ' 35' ' ' PHE . 11.0 mt -90.13 -27.19 19.78 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.582 -0.699 . . . . 0.0 110.385 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 p -71.94 64.49 0.51 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -168.51 -57.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.518 -0.739 . . . . 0.0 110.182 178.085 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -79.78 -18.39 51.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.535 -0.728 . . . . 0.0 110.709 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -94.69 36.52 1.17 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.471 -0.768 . . . . 0.0 110.41 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.0 mt -112.5 165.71 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.487 -0.758 . . . . 0.0 110.027 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.663 HD11 HG12 ' A' ' 29' ' ' VAL . 31.7 pt -125.74 -35.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.534 -0.729 . . . . 0.0 111.026 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.95 -161.14 25.61 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' CD ' HG11 ' A' ' 4' ' ' VAL . 5.1 mt-10 -107.87 -174.99 2.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.955 . . . . 0.0 110.083 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 9' ' ' LEU . 8.3 tt -113.62 144.06 43.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.46 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.78 112.17 5.25 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.542 -0.724 . . . . 0.0 110.02 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.11 -24.67 20.66 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 O-C-N 123.119 1.063 . . . . 0.0 111.212 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.9 t70 -60.76 -28.34 68.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.56 -0.713 . . . . 0.0 110.215 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.655 ' HB3' HD13 ' A' ' 9' ' ' LEU . 10.2 m-20 -93.96 -22.22 18.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.59 -0.694 . . . . 0.0 110.633 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 79' ' ' LEU . 1.4 mmm180 -53.45 -63.18 1.23 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.35 -0.844 . . . . 0.0 110.479 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -69.43 -66.08 0.63 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.584 -0.697 . . . . 0.0 109.572 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -76.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.554 -0.716 . . . . 0.0 109.409 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 87' ' ' ILE . 19.9 mm . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.568 -0.708 . . . . 0.0 109.108 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.095 0.474 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 78' ' ' GLU . 82.3 t 53.79 102.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.49 -0.756 . . . . 0.0 110.649 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -154.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.784 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 81' ' ' PRO . 7.6 m-85 -128.35 90.11 3.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' HG13 ' A' ' 76' ' ' ILE . 41.2 m-85 -74.78 136.73 41.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.631 -0.668 . . . . 0.0 110.044 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.6 p -79.86 167.49 20.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.69 . . . . 0.0 110.224 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 79' ' ' LEU . 7.8 tp -77.6 -27.99 51.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.599 -0.688 . . . . 0.0 110.283 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 -28.6 56.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.518 -0.739 . . . . 0.0 110.267 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.43 -34.47 41.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.504 -0.748 . . . . 0.0 110.225 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.414 HD13 HD12 ' A' ' 79' ' ' LEU . 73.2 mt -79.38 -29.18 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.49 -0.756 . . . . 0.0 109.951 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -90.85 20.02 5.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.506 -0.746 . . . . 0.0 110.976 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -136.32 49.1 2.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.333 -0.855 . . . . 0.0 110.25 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -121.01 65.46 0.86 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.613 -0.679 . . . . 0.0 110.148 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 73.23 0.33 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.561 -0.712 . . . . 0.0 110.263 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -114.24 167.14 10.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.49 -0.756 . . . . 0.0 110.197 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 t -112.93 -32.93 6.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.572 -0.705 . . . . 0.0 110.236 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.59 19.22 10.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.593 -0.692 . . . . 0.0 110.737 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -152.78 152.9 32.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -147.16 125.96 12.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 0.0 110.334 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 31' ' ' ASP . 5.4 m95 -94.08 82.07 4.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.609 -0.682 . . . . 0.0 110.113 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 24' ' ' ILE . 62.2 t -79.63 167.78 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.602 -0.686 . . . . 0.0 109.671 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -137.23 137.66 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.776 . . . . 0.0 109.938 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -90.45 -60.56 1.89 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.601 -0.687 . . . . 0.0 109.703 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -152.13 -45.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.657 -0.652 . . . . 0.0 109.506 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.553 ' CD2' ' OE2' ' A' ' 78' ' ' GLU . 0.7 OUTLIER -129.65 -41.74 1.33 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.719 -0.613 . . . . 0.0 110.216 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -71.53 137.87 48.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.53 -0.731 . . . . 0.0 110.561 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.7 132.58 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.73 -0.607 . . . . 0.0 109.506 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB3' HD11 ' A' ' 32' ' ' LEU . 19.4 m-85 -103.2 119.98 39.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.574 -0.704 . . . . 0.0 111.13 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' HB2' HD13 ' A' ' 76' ' ' ILE . 27.7 t0 -101.16 74.64 1.59 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.5 57.59 3.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.597 -0.689 . . . . 0.0 110.181 -175.255 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -68.31 -25.51 65.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.436 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -79.95 -28.16 39.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 70' ' ' LEU . 88.0 t80 -79.94 -34.06 39.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.959 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.6 tt -58.73 -32.55 69.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.548 -0.72 . . . . 0.0 110.245 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -96.04 25.08 5.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 0.0 110.359 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -118.18 -51.27 2.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.973 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -119.01 150.17 48.22 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.596 -0.69 . . . . 0.0 109.83 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.42 102.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.315 1.166 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.786 ' HA3' HG11 ' A' ' 45' ' ' VAL . . . -158.02 109.74 0.41 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.15 -49.13 74.52 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -171.03 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.435 -1.038 . . . . 0.0 110.789 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.06 72.15 1.66 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.35 -0.844 . . . . 0.0 111.065 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.786 HG11 ' HA3' ' A' ' 41' ' ' GLY . 26.9 m -114.37 -26.77 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.38 -0.825 . . . . 0.0 110.638 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 110.028 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.024 0.44 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 35' ' ' PHE . 1.4 pt? -90.23 16.58 8.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 111.01 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -85.76 55.54 3.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.281 -0.887 . . . . 0.0 110.154 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -143.64 -44.81 0.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.8 p -96.37 26.49 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.565 -0.71 . . . . 0.0 110.318 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -128.4 28.37 5.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.442 -0.786 . . . . 0.0 110.132 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.438 HG12 ' CE2' ' A' ' 30' ' ' TYR . 66.1 mt -114.8 161.01 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.464 -0.773 . . . . 0.0 110.235 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' A' ' 31' ' ' ASP . 35.8 pt -124.17 -33.66 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.584 -0.697 . . . . 0.0 111.094 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.47 -157.99 22.22 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.553 ' OE2' ' CD2' ' A' ' 27' ' ' HIS . 14.6 mt-10 -115.78 177.99 4.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.514 -0.992 . . . . 0.0 110.207 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -93.33 170.32 9.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD23 ' A' ' 79' ' ' LEU . 9.9 t-80 -79.4 127.8 77.43 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.581 -0.699 . . . . 0.0 110.181 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD3' ' CE1' ' A' ' 6' ' ' TYR . 50.6 Cg_exo -53.48 -23.51 25.02 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.109 1.057 . . . . 0.0 111.256 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.12 -60.04 4.19 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.414 -0.804 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.614 ' HB3' HD22 ' A' ' 9' ' ' LEU . 3.9 m-20 -79.89 -35.95 37.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.437 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HB2' HD22 ' A' ' 79' ' ' LEU . 7.5 ttt-85 -61.14 -41.78 97.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.644 -0.66 . . . . 0.0 110.212 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.638 ' HB2' HD12 ' A' ' 87' ' ' ILE . 4.4 m -89.97 -27.19 19.95 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.583 -0.698 . . . . 0.0 110.325 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.6 tttm 53.65 77.33 0.18 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.334 -0.854 . . . . 0.0 110.693 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.631 -0.668 . . . . 0.0 110.178 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.113 0.482 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.3 t 53.66 102.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 110.682 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HE3' ' CE1' ' A' ' 7' ' ' TYR . 16.2 ttpp -83.44 149.86 26.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -79.89 87.75 5.32 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.327 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 5' ' ' LYS . 31.3 m-85 -61.63 -168.32 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.637 . . . . 0.0 110.014 177.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.8 p -118.8 155.9 30.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.525 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 79' ' ' LEU . 7.1 tp -75.56 -25.33 57.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.713 -0.617 . . . . 0.0 110.596 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.27 -23.66 43.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.451 -0.781 . . . . 0.0 110.774 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -86.15 -26.89 24.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.609 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 HD12 ' A' ' 79' ' ' LEU . 46.6 mt -74.62 -54.69 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.453 -0.779 . . . . 0.0 110.226 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -90.01 48.66 1.6 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.503 -0.748 . . . . 0.0 110.653 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -164.95 55.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.536 -0.728 . . . . 0.0 110.234 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -101.72 119.2 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.593 -0.692 . . . . 0.0 110.243 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -107.15 28.76 7.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.606 -0.684 . . . . 0.0 110.337 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -95.37 -27.23 15.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.694 . . . . 0.0 110.351 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.9 t 53.37 27.31 6.16 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.343 -0.848 . . . . 0.0 110.709 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -116.93 -37.37 3.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.531 -0.73 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -111.16 -175.54 2.73 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.171 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -140.24 122.77 16.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.518 -0.739 . . . . 0.0 110.291 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.403 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.3 m95 -100.47 77.68 1.95 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.548 -0.72 . . . . 0.0 110.09 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 46' ' ' LEU . 57.7 t -85.0 151.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.571 -0.705 . . . . 0.0 110.014 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 24' ' ' ILE . 5.3 mp -120.13 137.29 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 177.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm? -109.05 -74.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.509 -0.744 . . . . 0.0 110.034 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.546 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 48.9 p-80 -122.38 82.88 2.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 109.792 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 55.07 22.42 4.48 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.33 -0.856 . . . . 0.0 110.549 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -122.4 134.18 54.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.474 -0.766 . . . . 0.0 109.793 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 76' ' ' ILE . 46.8 t -90.46 128.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.594 -0.691 . . . . 0.0 109.768 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 32' ' ' LEU . 14.7 m-30 -107.2 137.1 45.89 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.518 -0.739 . . . . 0.0 110.673 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.626 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.6 t70 -105.25 77.85 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' CB ' ' A' ' 30' ' ' TYR . 1.1 mp -92.34 45.2 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.642 -0.661 . . . . 0.0 110.147 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -67.84 -26.65 66.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.464 -0.773 . . . . 0.0 110.395 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 11.8 tttt -80.13 -28.9 38.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.006 177.313 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.784 ' CD1' HD11 ' A' ' 70' ' ' LEU . 81.1 t80 -72.62 -29.62 63.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.649 -0.657 . . . . 0.0 109.977 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -65.54 -29.27 69.88 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 177.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.42 -27.75 19.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.594 -0.691 . . . . 0.0 110.325 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.95 -31.13 39.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 110.147 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -112.36 94.74 28.17 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.139 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.95 91.36 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 O-C-N 123.428 1.225 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -123.29 -42.99 0.37 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.96 -53.93 0.78 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mt-10 -164.01 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.605 -0.938 . . . . 0.0 110.031 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -84.13 92.81 8.0 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.601 -0.687 . . . . 0.0 110.16 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.541 HG12 ' HA3' ' A' ' 41' ' ' GLY . 34.7 m -104.69 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 110.512 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.672 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.461 -0.774 . . . . 0.0 110.147 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.501 2.12 0 CA-C-O 121.056 0.455 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -90.11 54.26 2.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.52 -0.737 . . . . 0.0 110.327 177.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.9 p -99.33 -26.76 14.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.593 -0.692 . . . . 0.0 110.303 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.738 ' HA ' HD11 ' A' ' 75' ' ' ILE . 6.3 ptmt -81.83 -22.81 36.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 110.858 178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' CD1' ' A' ' 74' ' ' TYR . 8.8 t -93.04 -23.05 18.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.935 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.739 ' CD1' HG23 ' A' ' 73' ' ' THR . 3.1 m-85 -99.48 51.39 0.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.428 -0.795 . . . . 0.0 110.411 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.738 HD11 ' HA ' ' A' ' 72' ' ' LYS . 49.9 mt -116.05 166.85 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.507 -0.745 . . . . 0.0 110.362 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 31' ' ' ASP . 28.8 pt -130.6 -36.96 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.622 -0.674 . . . . 0.0 110.919 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.16 -152.19 9.71 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 4' ' ' VAL . 26.7 mt-10 -125.23 -174.7 3.12 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.504 -0.998 . . . . 0.0 110.426 177.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 HD12 ' A' ' 9' ' ' LEU . 8.6 tt -103.5 158.14 16.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.633 -0.667 . . . . 0.0 110.123 176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.467 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -78.55 114.24 41.51 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.598 -0.688 . . . . 0.0 110.162 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.81 -24.11 22.77 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 O-C-N 123.171 1.09 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.71 -25.57 63.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.548 -0.72 . . . . 0.0 110.638 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 9' ' ' LEU . 72.4 m-20 -108.24 -28.51 9.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 110.266 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -65.52 0.68 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.857 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -71.26 -150.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.6 -0.687 . . . . 0.0 109.324 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.888 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -97.48 -79.59 0.46 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.925 . . . . 0.0 109.529 176.142 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 86' ' ' LYS . 21.7 mm . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.475 -0.766 . . . . 0.0 109.86 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 121.097 0.475 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.52 HG11 ' OE1' ' A' ' 78' ' ' GLU . 70.9 t -83.89 139.89 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.079 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 7' ' ' TYR . 14.9 ptmt -116.53 -161.92 0.82 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.695 -0.628 . . . . 0.0 109.735 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HD3' ' A' ' 81' ' ' PRO . 21.9 m-85 -122.34 86.91 2.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.509 -0.745 . . . . 0.0 110.337 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 5' ' ' LYS . 33.8 m-85 -61.63 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.612 -0.68 . . . . 0.0 110.128 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 12' ' ' ILE . 73.0 p -119.16 159.68 23.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.568 -0.707 . . . . 0.0 110.27 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 79' ' ' LEU . 11.8 tp -80.76 -27.12 36.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.528 -0.732 . . . . 0.0 110.424 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.79 -27.99 61.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.505 -0.747 . . . . 0.0 110.292 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -81.57 -41.48 21.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.564 -0.71 . . . . 0.0 110.397 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 79' ' ' LEU . 59.9 mt -64.96 -26.27 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.559 -0.713 . . . . 0.0 110.132 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.07 23.44 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.461 -0.774 . . . . 0.0 111.011 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -166.81 73.59 0.14 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 110.264 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 28.1 m-70 -110.94 140.28 45.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.516 -0.74 . . . . 0.0 110.256 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -148.38 75.55 1.33 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.556 -0.715 . . . . 0.0 110.092 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -117.43 -144.07 0.38 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.479 -0.763 . . . . 0.0 110.147 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -71.34 63.54 0.37 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.296 -0.878 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 52.41 22.83 2.22 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.244 -0.91 . . . . 0.0 111.484 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t -63.93 178.58 0.62 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.437 -0.789 . . . . 0.0 110.116 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.595 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.5 t -140.82 119.75 12.68 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.519 -0.738 . . . . 0.0 110.299 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.5 m95 -93.65 84.59 4.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.499 -0.75 . . . . 0.0 110.078 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 24' ' ' ILE . 60.9 t -79.52 167.6 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.579 -0.701 . . . . 0.0 109.416 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 24' ' ' ILE . 4.9 mp -132.7 137.25 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.519 -0.738 . . . . 0.0 110.377 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -101.01 -152.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.698 -0.626 . . . . 0.0 109.358 176.423 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.21 -23.47 8.67 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.321 -0.862 . . . . 0.0 110.897 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 22.2 t-160 -168.21 -38.87 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.803 . . . . 0.0 110.796 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -66.14 144.16 56.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.726 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 75' ' ' ILE . 83.4 t -95.02 140.06 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.504 -0.747 . . . . 0.0 109.529 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.566 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -112.42 124.63 52.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.0 111.193 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.5 t70 -104.05 78.89 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -85.09 53.55 2.78 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.687 -0.633 . . . . 0.0 110.493 -175.52 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.9 t -69.79 -24.88 63.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.378 -0.826 . . . . 0.0 110.435 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -81.16 -25.87 36.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.422 -0.798 . . . . 0.0 110.468 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 35.6 t80 -88.73 -32.21 18.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.269 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.6 tt -60.61 -26.22 66.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.6 -0.688 . . . . 0.0 110.406 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.34 -22.99 14.89 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.449 -0.782 . . . . 0.0 110.701 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -79.71 -28.02 40.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.355 -0.84 . . . . 0.0 110.291 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 51.1 m80 -127.31 82.28 68.49 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.523 -0.736 . . . . 0.0 110.232 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.03 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.36 0 O-C-N 123.369 1.194 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.5 -34.32 2.11 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.84 78.69 0.25 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 55.81 -86.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.699 -0.883 . . . . 0.0 110.903 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 73.42 0.33 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.132 -0.98 . . . . 0.0 110.315 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 HD12 ' A' ' 46' ' ' LEU . 35.1 m -75.43 -20.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.54 -0.725 . . . . 0.0 110.84 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HG23 ' A' ' 45' ' ' VAL . 1.5 mp . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.344 -0.848 . . . . 0.0 110.404 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.126 0.488 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -83.78 -25.61 30.31 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.549 -0.719 . . . . 0.0 110.388 177.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -71.62 66.25 0.51 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.507 -0.746 . . . . 0.0 110.182 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -159.61 -49.3 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 110.204 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -96.68 26.31 4.58 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.52 -0.737 . . . . 0.0 110.379 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -133.36 33.62 3.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.417 -0.802 . . . . 0.0 110.02 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 54.2 mt -112.46 158.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.575 -0.703 . . . . 0.0 109.949 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 31' ' ' ASP . 38.7 pt -120.48 -32.52 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.547 -0.72 . . . . 0.0 110.9 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.3 11.66 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.52 ' OE1' HG11 ' A' ' 4' ' ' VAL . 3.2 mt-10 -124.22 178.88 5.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.512 -0.993 . . . . 0.0 110.047 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.944 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -98.54 152.03 20.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.569 -0.707 . . . . 0.0 110.126 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' O ' HD23 ' A' ' 79' ' ' LEU . 17.3 t-80 -60.21 124.06 75.91 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.668 -0.645 . . . . 0.0 110.317 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 50.0 Cg_exo -53.16 -23.73 23.62 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 O-C-N 123.04 1.021 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.31 -39.62 79.85 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.441 -0.787 . . . . 0.0 110.482 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.487 ' O ' HD11 ' A' ' 87' ' ' ILE . 3.6 m-20 -95.33 -25.98 16.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.552 -0.718 . . . . 0.0 110.338 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.685 ' HB2' HD22 ' A' ' 79' ' ' LEU . 5.8 tpm_? -86.82 -67.06 0.84 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.266 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -90.17 -169.68 2.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 37.19 52.37 1.15 Allowed 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 83' ' ' ASP . 50.1 mm . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.972 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.07 0.462 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.854 HG11 ' CD ' ' A' ' 78' ' ' GLU . 89.7 t -82.27 144.81 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.554 -0.716 . . . . 0.0 110.126 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -114.24 145.59 41.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.686 -0.634 . . . . 0.0 109.656 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -79.84 85.78 5.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.497 -0.752 . . . . 0.0 110.211 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HD2' HG21 ' A' ' 29' ' ' VAL . 29.6 m-85 -61.92 -164.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.623 -0.673 . . . . 0.0 110.044 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -135.42 -177.03 4.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.491 -0.755 . . . . 0.0 110.339 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 83' ' ' ASP . 2.3 mp -84.94 -49.14 8.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.621 -0.674 . . . . 0.0 110.282 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -26.96 66.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.627 -0.67 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 15' ' ' HIS . 3.4 tp10 -77.83 -43.79 29.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.513 -0.742 . . . . 0.0 110.407 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.796 HG21 HD11 ' A' ' 24' ' ' ILE . 79.4 mt -79.25 -23.05 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.542 -0.724 . . . . 0.0 110.413 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.53 19.6 5.19 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.345 -0.847 . . . . 0.0 111.015 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -122.94 28.42 7.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.304 -0.873 . . . . 0.0 110.158 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' CE1' ' O ' ' A' ' 11' ' ' GLU . 12.0 m80 -110.64 97.79 7.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.558 -0.714 . . . . 0.0 110.175 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -74.23 -29.33 61.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.556 -0.715 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -167.85 -64.35 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.64 -0.662 . . . . 0.0 110.179 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p 49.97 26.46 2.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.521 -0.737 . . . . 0.0 111.118 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.41 -67.1 0.16 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.54 -0.725 . . . . 0.0 110.711 178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 p -60.54 -171.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.371 -0.83 . . . . 0.0 110.328 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -144.95 124.29 13.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.64 -0.663 . . . . 0.0 110.379 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -98.86 75.91 2.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 110.225 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.57 133.35 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.471 -0.768 . . . . 0.0 109.943 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.796 HD11 HG21 ' A' ' 12' ' ' ILE . 7.7 mt -104.41 137.9 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.532 -0.73 . . . . 0.0 109.837 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -91.15 -77.37 0.42 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.624 -0.673 . . . . 0.0 109.894 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -128.84 -41.46 1.47 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.768 . . . . 0.0 110.1 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 23.4 t-160 -150.22 22.17 0.85 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 176.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -126.37 144.21 50.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.811 . . . . 0.0 110.304 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG21 ' HD2' ' A' ' 7' ' ' TYR . 49.7 t -100.36 119.59 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.61 -0.681 . . . . 0.0 109.644 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.785 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -100.51 130.39 46.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 110.982 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 25.5 t70 -102.82 78.98 1.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 170.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 46' ' ' LEU . 1.2 mp -90.58 46.08 1.31 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.642 -0.662 . . . . 0.0 110.488 -174.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -69.16 -24.54 64.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.486 -0.759 . . . . 0.0 110.406 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -81.92 -27.86 33.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.124 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD1' HD11 ' A' ' 46' ' ' LEU . 26.8 t80 -76.38 -29.78 57.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.49 -0.756 . . . . 0.0 109.887 177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.782 HD21 ' HG2' ' A' ' 43' ' ' GLU . 2.9 tt -61.26 -30.74 70.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.594 -0.691 . . . . 0.0 110.168 178.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -111.6 25.29 11.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.564 -0.71 . . . . 0.0 110.613 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.29 -40.96 5.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.539 -0.726 . . . . 0.0 110.11 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -120.67 81.82 33.25 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.572 -0.705 . . . . 0.0 110.169 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.74 92.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.376 1.198 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.14 40.91 0.05 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.01 125.86 2.52 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HG2' HD21 ' A' ' 36' ' ' LEU . 6.1 mt-10 -95.03 -29.09 14.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.99 . . . . 0.0 110.275 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -100.2 54.08 0.9 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.58 -0.7 . . . . 0.0 110.323 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.62 24.59 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.506 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.954 HD12 HD22 ' A' ' 32' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.439 -0.788 . . . . 0.0 109.883 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.992 0.425 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD21 ' HD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -91.14 49.55 1.64 Allowed 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.481 176.081 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.71 ' O ' HD11 ' A' ' 75' ' ' ILE . 5.2 p -96.42 27.74 3.64 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.515 -0.741 . . . . 0.0 110.264 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -120.77 -42.86 2.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 110.077 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.0 p -97.41 28.03 3.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.509 -0.745 . . . . 0.0 110.204 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.22 28.4 2.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.564 -0.71 . . . . 0.0 110.099 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.71 HD11 ' O ' ' A' ' 71' ' ' SER . 76.1 mt -116.65 158.58 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.49 -0.756 . . . . 0.0 110.408 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 31' ' ' ASP . 4.0 pt -117.14 -24.83 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.681 -0.637 . . . . 0.0 110.829 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.641 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.0 -152.73 12.53 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.854 ' CD ' HG11 ' A' ' 4' ' ' VAL . 17.5 mt-10 -133.19 -171.01 2.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.967 . . . . 0.0 110.206 177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 9' ' ' LEU . 63.8 tp -106.55 159.11 16.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.703 . . . . 0.0 110.038 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.44 119.25 76.52 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.537 -0.727 . . . . 0.0 110.032 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.97 -23.76 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 O-C-N 123.076 1.04 . . . . 0.0 111.184 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HA ' HD13 ' A' ' 87' ' ' ILE . 2.5 t70 -57.71 -53.35 59.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.396 -0.815 . . . . 0.0 110.653 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB3' HD13 ' A' ' 9' ' ' LEU . 48.0 m-20 -80.64 -39.27 27.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD23 ' A' ' 79' ' ' LEU . 5.1 ttt-85 -61.37 -44.61 96.87 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.589 -0.694 . . . . 0.0 110.248 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -89.43 -156.35 0.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.537 -0.727 . . . . 0.0 110.221 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.94 76.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.557 -0.714 . . . . 0.0 110.104 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.576 -0.703 . . . . 0.0 109.934 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.475 ' C ' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.03 0.443 . . . . 0.0 110.242 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 78' ' ' GLU . 79.6 t -150.03 123.6 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.611 -0.681 . . . . 0.0 110.023 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -116.3 155.02 29.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.616 -0.678 . . . . 0.0 109.845 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.96 93.26 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.526 -0.734 . . . . 0.0 110.433 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.767 ' CE2' HD12 ' A' ' 76' ' ' ILE . 10.4 m-85 -69.96 -168.9 0.23 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.701 -0.624 . . . . 0.0 109.906 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 12' ' ' ILE . 77.7 p -126.23 154.1 43.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.718 . . . . 0.0 110.347 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.016 HD12 HD11 ' A' ' 79' ' ' LEU . 3.2 tp -67.53 -27.32 66.87 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -73.71 -26.8 60.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.516 -0.74 . . . . 0.0 110.567 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.78 -27.63 33.65 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.484 -0.76 . . . . 0.0 110.477 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.951 HD13 HD12 ' A' ' 79' ' ' LEU . 7.8 mt -88.47 -25.61 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.598 -0.688 . . . . 0.0 110.342 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.29 48.32 1.54 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -169.42 52.34 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.51 -0.743 . . . . 0.0 110.31 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.488 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 31.7 m-70 -122.43 102.44 8.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.616 -0.678 . . . . 0.0 110.281 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -168.85 53.73 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.504 -0.747 . . . . 0.0 110.19 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -136.56 -44.3 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.555 -0.715 . . . . 0.0 110.321 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -96.94 30.85 2.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.342 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt 54.08 22.2 3.37 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 111.113 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -89.57 170.4 10.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.442 -0.787 . . . . 0.0 110.104 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -144.28 117.96 9.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.539 -0.725 . . . . 0.0 110.408 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 4.7 m0 -92.03 81.4 5.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.564 -0.71 . . . . 0.0 110.103 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 24' ' ' ILE . 91.6 t -79.7 168.65 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.567 -0.708 . . . . 0.0 109.454 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 4.8 mp -136.8 136.22 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.392 -0.817 . . . . 0.0 110.562 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD22 ' C ' ' A' ' 24' ' ' ILE . 4.6 mm? -110.43 77.56 1.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 55.84 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.529 -0.732 . . . . 0.0 110.098 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 67.88 -62.59 0.34 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.659 -0.65 . . . . 0.0 110.938 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' ILE . 27.3 mttp -57.14 136.86 56.41 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.326 -0.859 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 75' ' ' ILE . 64.9 t -105.81 148.34 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.486 -0.759 . . . . 0.0 109.832 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.4 m-85 -120.75 136.79 54.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.639 -0.663 . . . . 0.0 111.448 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 27.0 t70 -106.33 91.01 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.919 HD22 HD13 ' A' ' 46' ' ' LEU . 7.9 mt -87.04 14.13 8.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.604 -0.685 . . . . 0.0 111.472 -173.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 31' ' ' ASP . 7.4 t -60.72 -27.16 67.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.169 -0.957 . . . . 0.0 109.988 175.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' CD ' ' CD2' ' A' ' 74' ' ' TYR . 14.0 ptpt -84.17 -23.98 30.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 110.138 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HE1' HG21 ' A' ' 45' ' ' VAL . 22.4 t80 -81.76 -33.49 30.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.396 -0.815 . . . . 0.0 109.902 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.57 -27.36 64.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.326 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.26 -19.96 19.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.585 -0.697 . . . . 0.0 110.665 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -79.73 -48.5 13.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.381 -0.824 . . . . 0.0 110.339 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 29.1 m80 -115.61 84.75 12.8 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.537 -0.727 . . . . 0.0 110.197 178.14 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 91.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.392 1.207 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.56 -64.61 0.35 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.88 32.5 84.09 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.27 -74.06 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.607 -0.937 . . . . 0.0 110.343 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -100.11 88.33 3.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 0.0 110.519 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 46' ' ' LEU . 9.7 p -167.82 132.44 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.555 -0.715 . . . . 0.0 110.05 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.919 HD13 HD22 ' A' ' 32' ' ' LEU . 7.6 mt . . . . . 0 N--CA 1.499 2.014 0 O-C-N 121.592 -0.692 . . . . 0.0 111.504 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.08 0.467 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.1 tt -81.97 -26.22 34.12 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.302 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 p -71.73 64.93 0.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 110.155 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -54.98 0.09 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.542 -0.724 . . . . 0.0 109.875 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.6 p -79.55 -14.28 58.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.538 -0.726 . . . . 0.0 110.799 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' HD21 ' A' ' 70' ' ' LEU . 12.1 m-85 -93.6 22.88 5.03 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 29' ' ' VAL . 51.7 mt -107.65 153.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.298 -0.877 . . . . 0.0 109.798 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 7' ' ' TYR . 36.3 pt -108.44 -25.99 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.538 -0.726 . . . . 0.0 110.779 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.18 -159.56 32.71 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.542 ' HG3' HG13 ' A' ' 4' ' ' VAL . 6.6 mt-10 -111.45 -179.04 3.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.933 . . . . 0.0 110.132 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.016 HD11 HD12 ' A' ' 9' ' ' LEU . 9.1 tt -106.65 152.31 23.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.553 -0.717 . . . . 0.0 110.149 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.65 111.57 4.29 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.54 -0.725 . . . . 0.0 110.104 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.3 Cg_exo -53.25 -23.78 24.44 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 O-C-N 123.131 1.069 . . . . 0.0 111.168 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' HA ' HD11 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.5 -26.53 63.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.413 -0.805 . . . . 0.0 110.626 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.762 ' HB3' HD22 ' A' ' 9' ' ' LEU . 5.4 m-20 -112.1 -25.09 9.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.457 -0.777 . . . . 0.0 110.554 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.487 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.1 tpm_? -58.62 -46.1 87.78 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.351 -0.843 . . . . 0.0 110.3 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -90.1 -155.06 0.35 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.566 -0.709 . . . . 0.0 110.044 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -118.15 63.13 0.76 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.45 -0.781 . . . . 0.0 109.831 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.658 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.592 -0.693 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.145 0.497 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.75 128.68 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.494 -0.754 . . . . 0.0 110.187 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 11.2 ptpt -112.65 -157.45 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.729 -0.607 . . . . 0.0 109.435 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -120.94 91.39 3.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 0.0 110.344 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.701 ' CB ' HD11 ' A' ' 12' ' ' ILE . 27.7 m-85 -61.16 171.7 1.25 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 109.957 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.3 p -110.03 146.51 35.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.54 -0.725 . . . . 0.0 110.009 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 79' ' ' LEU . 6.2 tp -55.02 -22.92 17.23 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.466 -0.772 . . . . 0.0 110.872 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -85.46 -27.29 25.78 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.415 -0.803 . . . . 0.0 110.445 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.4 -31.1 26.86 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.475 -0.766 . . . . 0.0 110.223 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 7' ' ' TYR . 50.8 mm -77.11 -28.73 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 109.896 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -90.28 48.76 1.6 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -163.59 63.95 0.17 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.478 -0.764 . . . . 0.0 110.452 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.5 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 22.8 m-70 -145.26 152.84 40.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.54 -0.725 . . . . 0.0 110.252 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.64 143.84 53.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.55 -27.34 8.62 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.421 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -70.49 -39.45 74.18 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.514 -0.741 . . . . 0.0 110.259 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -84.82 -50.27 7.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.552 -0.717 . . . . 0.0 110.25 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 33' ' ' THR . 5.7 m -121.48 -170.52 2.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.628 -0.67 . . . . 0.0 110.151 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.804 ' HB ' HD11 ' A' ' 36' ' ' LEU . 7.7 t -154.44 121.22 5.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.493 -0.755 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.646 ' HZ3' HD13 ' A' ' 12' ' ' ILE . 7.5 m0 -101.52 73.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.584 -0.698 . . . . 0.0 110.075 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CB ' HD22 ' A' ' 46' ' ' LEU . 69.5 t -79.73 138.14 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.604 -0.685 . . . . 0.0 109.834 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -98.98 137.55 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.58 -0.7 . . . . 0.0 109.88 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 2.1 tp -145.95 123.84 12.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.63 -0.669 . . . . 0.0 109.774 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 53.61 57.62 5.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 14.2 t-160 55.42 21.24 4.14 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.403 -0.81 . . . . 0.0 111.098 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -122.01 149.98 42.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.071 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 12' ' ' ILE . 38.7 t -104.09 126.58 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.499 -0.751 . . . . 0.0 109.654 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -102.88 131.54 49.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.546 -0.721 . . . . 0.0 111.051 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 28.0 t70 -105.28 78.4 1.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 170.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 46' ' ' LEU . 1.1 mp -88.58 49.43 1.79 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.57 -0.706 . . . . 0.0 110.499 -175.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 20' ' ' SER . 3.8 m -68.26 -42.11 80.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.382 -0.824 . . . . 0.0 109.949 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.83 -28.66 69.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.574 -0.704 . . . . 0.0 110.015 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 53.8 t80 -81.02 -30.22 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.497 -0.752 . . . . 0.0 109.864 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' HB ' ' A' ' 21' ' ' THR . 6.2 mt -61.01 -38.57 86.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.667 -0.646 . . . . 0.0 110.093 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.17 -23.99 28.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.669 -0.644 . . . . 0.0 110.552 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.62 -28.96 40.94 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.463 -0.773 . . . . 0.0 110.188 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.453 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 7.8 m80 -122.41 86.68 48.45 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.061 177.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.53 92.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 O-C-N 123.38 1.2 . . . . 0.0 111.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.78 -45.81 0.69 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -116.37 1.34 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.33 -155.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.496 -1.002 . . . . 0.0 109.912 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -59.97 103.61 0.23 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.404 -0.81 . . . . 0.0 110.168 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.835 HG23 HD12 ' A' ' 46' ' ' LEU . 35.3 m -64.81 -126.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.668 -0.645 . . . . 0.0 110.338 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD12 HG23 ' A' ' 45' ' ' VAL . 3.8 mp . . . . . 0 N--CA 1.501 2.096 0 O-C-N 120.444 -1.41 . . . . 0.0 110.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.067 0.46 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 6.2 tp -89.99 -28.56 19.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.542 -0.724 . . . . 0.0 110.235 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -74.44 73.26 1.89 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.525 -0.735 . . . . 0.0 110.105 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -169.1 -40.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.583 -0.698 . . . . 0.0 110.279 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.4 p -97.29 -23.03 16.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.544 -0.723 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 79.1 m-85 -90.3 48.9 1.61 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.362 -0.836 . . . . 0.0 110.341 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 76' ' ' ILE . 72.1 mt -117.06 166.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.453 -0.78 . . . . 0.0 110.101 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.2 pt -127.65 -36.3 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -175.9 -154.58 11.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 29.3 mt-10 -126.17 -179.5 4.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.596 -0.944 . . . . 0.0 110.329 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.914 HD11 HD12 ' A' ' 9' ' ' LEU . 7.9 tt -104.74 167.17 9.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.209 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.725 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -80.2 116.27 60.34 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 121.582 -0.699 . . . . 0.0 110.11 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.9 -24.12 23.25 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.137 1.072 . . . . 0.0 111.242 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.21 -49.62 77.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.754 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.7 m-20 -80.4 -34.71 36.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.543 -0.723 . . . . 0.0 110.307 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.628 ' HB2' HD22 ' A' ' 79' ' ' LEU . 4.4 ttt-85 -60.22 -60.84 3.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.517 -0.74 . . . . 0.0 110.069 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -63.67 -151.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.713 -0.617 . . . . 0.0 109.661 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.727 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -120.17 -101.19 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.228 176.426 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 86' ' ' LYS . 46.9 mm . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.74 -1.225 . . . . 0.0 109.913 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.068 0.461 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 77' ' ' GLY . 82.3 t -133.61 144.05 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.531 -0.73 . . . . 0.0 110.136 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -117.99 144.89 45.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.655 . . . . 0.0 109.746 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 82.13 5.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.44 -167.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.135 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.9 p -119.36 155.52 31.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.508 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.943 HD12 HD11 ' A' ' 79' ' ' LEU . 11.2 tp -70.19 -28.9 65.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.658 -0.651 . . . . 0.0 110.185 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.58 -28.19 64.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 110.16 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.1 -41.89 73.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.582 -0.699 . . . . 0.0 110.173 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 79' ' ' LEU . 12.1 mt -65.27 -41.4 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.551 -0.718 . . . . 0.0 109.936 177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.28 49.06 1.64 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.575 -0.703 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -167.37 49.01 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.571 -0.705 . . . . 0.0 110.248 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -124.6 28.71 6.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.567 -0.708 . . . . 0.0 110.269 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -27.97 69.21 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.623 -0.673 . . . . 0.0 110.353 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.72 -29.11 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.243 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -81.52 145.2 30.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.478 -0.764 . . . . 0.0 110.231 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -93.47 19.24 8.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.614 -0.679 . . . . 0.0 110.752 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.67 118.98 32.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.43 -0.794 . . . . 0.0 110.189 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -73.32 116.06 13.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.532 -0.73 . . . . 0.0 110.397 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -103.4 74.33 1.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.521 -0.737 . . . . 0.0 110.13 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.28 119.67 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.589 -0.694 . . . . 0.0 110.027 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 12' ' ' ILE . 46.8 mm -79.57 137.5 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.631 -0.668 . . . . 0.0 110.118 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -150.49 122.33 8.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.599 -0.688 . . . . 0.0 109.881 177.5 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 52.97 57.72 6.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.42 -0.8 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 53.65 23.65 3.75 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.396 -0.815 . . . . 0.0 110.893 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 75' ' ' ILE . 3.3 ttpt -121.62 149.25 43.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.504 -0.747 . . . . 0.0 110.256 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.8 t -103.3 124.37 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.566 -0.709 . . . . 0.0 109.752 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 32' ' ' LEU . 61.6 m-85 -105.16 130.25 53.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.558 -0.714 . . . . 0.0 111.066 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.7 t0 -105.89 79.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.933 HD22 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -92.27 44.37 1.16 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.581 -0.7 . . . . 0.0 110.35 -174.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -69.79 -23.94 63.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.508 -0.745 . . . . 0.0 110.34 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -79.5 -28.36 41.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.438 -0.788 . . . . 0.0 110.166 177.487 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 39' ' ' HIS . 21.9 t80 -73.23 -29.22 62.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.521 -0.737 . . . . 0.0 110.036 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD11 ' OE1' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -66.31 -29.71 69.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.597 -0.689 . . . . 0.0 110.045 177.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -101.11 -20.15 15.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 110.742 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -79.6 -24.22 42.15 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.362 -0.836 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 74.3 m80 -125.11 73.31 65.98 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.409 -0.807 . . . . 0.0 110.35 177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.24 -23.96 24.96 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 O-C-N 123.281 1.148 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.47 69.03 0.92 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.89 -31.23 2.74 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 56.56 -85.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.654 -0.91 . . . . 0.0 110.642 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 36' ' ' LEU . 6.1 mm-40 -82.68 57.83 3.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.091 -1.006 . . . . 0.0 110.061 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.01 -40.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.549 -0.719 . . . . 0.0 110.073 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.933 HD13 HD22 ' A' ' 32' ' ' LEU . 16.2 mt . . . . . 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.412 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -90.73 20.14 4.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.544 -0.722 . . . . 0.0 110.942 177.844 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.0 p -77.21 73.9 3.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 110.221 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 75' ' ' ILE . 8.4 tmtt? -168.51 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 110.253 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -99.99 -27.28 13.65 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.557 -0.715 . . . . 0.0 110.481 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 70' ' ' LEU . 15.6 m-85 -90.7 48.8 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.298 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.9 mt -113.65 166.9 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.49 -0.756 . . . . 0.0 109.92 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.2 pt -125.81 -34.45 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.478 -0.764 . . . . 0.0 111.062 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.45 -152.94 11.51 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.468 ' HG3' HG11 ' A' ' 4' ' ' VAL . 1.2 mt-10 -119.52 -170.88 2.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 110.129 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.943 HD11 HD12 ' A' ' 9' ' ' LEU . 5.2 tt -109.44 148.6 30.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.718 . . . . 0.0 110.161 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.488 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.0 t-80 -60.95 117.42 25.48 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.59 -0.694 . . . . 0.0 109.991 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.7 -23.95 21.68 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 O-C-N 123.092 1.048 . . . . 0.0 111.246 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.94 -43.94 73.83 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.397 -0.814 . . . . 0.0 110.741 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.522 ' HB3' HD22 ' A' ' 9' ' ' LEU . 4.0 m-20 -79.82 -28.97 40.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.561 -0.712 . . . . 0.0 109.818 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' NH1' HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -62.3 -157.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.582 -0.699 . . . . 0.0 109.879 176.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -90.2 100.21 13.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.492 -0.755 . . . . 0.0 110.42 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' CD ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -139.97 22.04 2.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.6 176.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.381 -0.825 . . . . 0.0 110.236 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.166 0.507 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.9 t 54.18 105.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.424 -0.797 . . . . 0.0 110.667 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.85 147.98 31.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.49 -0.756 . . . . 0.0 109.607 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 96.57 6.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.422 -0.799 . . . . 0.0 110.518 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.31 -167.35 1.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 109.912 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 12' ' ' ILE . 20.0 p -132.59 177.24 7.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.53 -0.731 . . . . 0.0 110.351 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD13 HD21 ' A' ' 79' ' ' LEU . 6.1 tp -82.87 -28.23 30.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.7 -0.625 . . . . 0.0 110.252 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.09 -28.29 43.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.612 -0.68 . . . . 0.0 110.219 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.56 -34.94 53.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.602 -0.687 . . . . 0.0 110.247 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.613 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.4 mt -79.03 -29.35 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.574 -0.704 . . . . 0.0 109.975 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.26 49.11 1.64 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.544 -0.723 . . . . 0.0 110.306 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -149.27 32.2 0.74 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.739 . . . . 0.0 110.233 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -128.26 92.39 3.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.575 -0.703 . . . . 0.0 110.225 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -122.26 47.48 1.91 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.671 -0.643 . . . . 0.0 110.2 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.32 168.0 9.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.507 -0.746 . . . . 0.0 110.167 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 45.94 1.17 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.591 -0.693 . . . . 0.0 110.197 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -125.25 -42.25 2.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.592 -0.693 . . . . 0.0 110.193 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -147.79 169.49 19.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.593 -0.692 . . . . 0.0 110.206 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -136.5 134.48 37.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.504 -0.748 . . . . 0.0 110.19 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE3' HG11 ' A' ' 29' ' ' VAL . 4.7 m0 -99.4 86.79 3.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.586 -0.696 . . . . 0.0 110.252 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' A' ' 32' ' ' LEU . 69.4 t -79.41 136.62 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.456 -0.777 . . . . 0.0 109.296 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.613 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.5 mp -114.96 134.92 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.58 -0.7 . . . . 0.0 109.913 177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 3.9 mp -105.14 71.47 0.95 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.91 26.8 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -179.92 -61.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 173.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -76.92 151.69 35.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.746 -0.596 . . . . 0.0 111.119 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG11 ' CE3' ' A' ' 22' ' ' TRP . 46.3 t -109.85 119.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 32' ' ' LEU . 22.8 m-85 -99.28 119.73 38.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.474 -0.766 . . . . 0.0 111.264 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 76' ' ' ILE . 7.5 t0 -96.35 81.95 3.35 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.711 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -89.95 45.59 1.29 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.556 -0.715 . . . . 0.0 110.831 -173.59 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 31' ' ' ASP . 10.2 t -72.05 -26.52 62.22 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.371 -0.83 . . . . 0.0 110.213 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 15.6 ttmt -82.23 -21.02 36.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' HD1' HD23 ' A' ' 70' ' ' LEU . 68.9 t80 -85.89 -27.9 24.71 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.399 -0.813 . . . . 0.0 110.202 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -61.0 -46.86 89.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 178.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -24.31 63.09 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.724 . . . . 0.0 110.502 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.72 -67.89 0.72 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.441 -0.787 . . . . 0.0 110.104 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 18.6 m80 -79.82 172.24 10.38 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 109.903 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.54 -32.02 51.63 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 O-C-N 123.263 1.138 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 36' ' ' LEU . . . 60.67 50.5 66.94 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 63.94 2.04 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 56.69 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.67 -0.9 . . . . 0.0 110.85 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.54 46.97 1.38 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.187 -0.945 . . . . 0.0 110.422 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 HD12 ' A' ' 46' ' ' LEU . 8.6 p -61.58 -33.42 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.444 -0.785 . . . . 0.0 110.269 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.013 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.336 -0.853 . . . . 0.0 110.312 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.087 0.47 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.602 HD23 ' HD1' ' A' ' 35' ' ' PHE . 11.2 tp -90.85 42.54 1.11 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.707 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p -100.39 70.89 1.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -168.52 -40.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.537 -0.727 . . . . 0.0 110.189 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.8 p -96.96 30.38 2.73 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.494 -0.754 . . . . 0.0 110.371 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 70' ' ' LEU . 92.3 m-85 -152.01 29.17 0.58 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.432 -0.792 . . . . 0.0 110.207 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 76' ' ' ILE . 71.2 mt -102.43 164.8 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.521 -0.737 . . . . 0.0 109.716 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 31' ' ' ASP . 40.4 pt -121.6 -32.74 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.99 -153.26 10.62 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 4' ' ' VAL . 55.0 mt-10 -132.2 -169.06 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.599 -0.942 . . . . 0.0 110.582 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.75 HD21 HD13 ' A' ' 9' ' ' LEU . 11.4 tp -96.16 162.16 13.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.664 -0.647 . . . . 0.0 110.466 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.443 ' CD2' ' HD2' ' A' ' 81' ' ' PRO . 28.9 t-80 -85.82 147.01 44.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.554 -0.716 . . . . 0.0 110.069 176.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.443 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 50.4 Cg_exo -53.72 -22.27 22.43 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 O-C-N 123.421 1.222 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.32 -61.43 2.49 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.308 -0.87 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.459 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.8 m-20 -84.92 -21.73 29.54 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.463 -0.773 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 5.5 mtp180 -54.51 -59.78 4.23 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.284 -0.885 . . . . 0.0 110.535 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -90.03 -74.61 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.627 -0.671 . . . . 0.0 110.163 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.59 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -169.94 -76.12 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.491 -0.755 . . . . 0.0 109.771 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 86' ' ' LYS . 50.7 mm . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.569 -0.707 . . . . 0.0 109.925 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.003 0.43 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -78.36 134.13 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.543 -0.723 . . . . 0.0 110.066 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -110.1 148.4 31.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.627 -0.671 . . . . 0.0 109.531 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -79.72 80.68 6.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.437 -0.79 . . . . 0.0 110.228 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -61.33 141.85 57.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.629 -0.669 . . . . 0.0 110.006 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -84.91 157.28 20.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.611 -0.681 . . . . 0.0 110.406 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 83' ' ' ASP . 11.5 tp -59.44 -26.84 65.53 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.576 -0.703 . . . . 0.0 110.434 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.75 -26.98 50.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.508 -0.745 . . . . 0.0 110.394 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -29.28 49.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.557 -0.715 . . . . 0.0 110.225 178.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 24' ' ' ILE . 51.3 mm -77.1 -37.08 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.553 -0.717 . . . . 0.0 109.955 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.31 49.06 1.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.591 -0.693 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.28 37.87 3.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.463 -0.773 . . . . 0.0 110.308 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 65.2 m-70 -115.47 108.22 16.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.587 -0.695 . . . . 0.0 110.121 177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -44.04 0.19 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.646 -0.659 . . . . 0.0 110.323 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -79.75 -68.08 0.7 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.541 -0.725 . . . . 0.0 110.267 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -61.26 161.41 9.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.522 -0.736 . . . . 0.0 110.077 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.07 136.37 43.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 110.15 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -171.88 -159.12 0.14 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.598 -0.689 . . . . 0.0 109.873 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -159.44 82.54 0.76 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' HG11 ' A' ' 29' ' ' VAL . 7.7 m95 -83.61 83.03 8.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.568 -0.707 . . . . 0.0 110.245 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 ' HB3' ' A' ' 46' ' ' LEU . 82.7 t -84.56 142.24 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 24' ' ' ILE . 5.0 mp -114.13 137.21 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' A' ' 30' ' ' TYR . 8.4 mp -103.58 -75.65 0.61 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.525 -0.735 . . . . 0.0 110.625 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -120.64 -41.65 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 81' ' ' PRO . 6.5 t-160 -159.02 25.83 0.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.571 -0.706 . . . . 0.0 110.262 175.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 48.2 mttt -126.85 143.11 51.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.472 -0.767 . . . . 0.0 110.25 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 12' ' ' ILE . 47.5 t -99.76 118.67 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.688 -0.633 . . . . 0.0 109.515 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.706 ' CE1' HD13 ' A' ' 25' ' ' LEU . 28.3 m-85 -95.55 122.62 38.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.487 -0.758 . . . . 0.0 111.133 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.579 ' OD1' HG22 ' A' ' 33' ' ' THR . 38.6 t0 -100.95 83.8 2.58 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.93 HD22 ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -95.8 29.4 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.619 -0.676 . . . . 0.0 110.315 -174.54 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.579 HG22 ' OD1' ' A' ' 31' ' ' ASP . 8.0 t -60.21 -28.69 68.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.407 -0.808 . . . . 0.0 110.259 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.12 -40.04 47.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.502 -0.748 . . . . 0.0 109.847 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE2' ' NE2' ' A' ' 39' ' ' HIS . 29.1 t80 -64.5 -37.99 89.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.646 -0.659 . . . . 0.0 109.764 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.737 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.9 tt -61.23 -31.86 71.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.652 -0.655 . . . . 0.0 110.125 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -91.4 -24.98 19.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.649 -0.657 . . . . 0.0 110.509 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.74 -27.02 40.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.447 -0.783 . . . . 0.0 110.276 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 68.9 m-70 -109.53 98.42 32.37 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.502 -0.749 . . . . 0.0 110.015 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.99 102.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.368 1.194 . . . . 0.0 111.0 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.94 55.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.689 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -71.07 70.25 0.79 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.23 -45.42 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.63 -0.923 . . . . 0.0 109.946 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -100.23 -27.64 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.592 -0.692 . . . . 0.0 110.324 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 45' ' ' VAL . 32.9 m -59.3 104.42 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.505 -0.747 . . . . 0.0 110.416 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.93 ' CD1' HD22 ' A' ' 32' ' ' LEU . 1.5 mt . . . . . 0 N--CA 1.5 2.064 0 O-C-N 121.39 -0.819 . . . . 0.0 111.47 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.099 0.476 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -90.86 20.95 4.4 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 111.095 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -61.72 -26.28 67.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.176 -0.953 . . . . 0.0 110.314 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 73' ' ' THR . 5.0 pttm -68.98 -22.36 64.1 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.555 -0.715 . . . . 0.0 110.825 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' HG3' ' A' ' 72' ' ' LYS . 62.4 p -93.25 -23.19 18.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.336 -0.852 . . . . 0.0 110.61 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' HD12 ' A' ' 70' ' ' LEU . 4.8 m-85 -92.75 44.52 1.16 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.48 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 72' ' ' LYS . 70.3 mt -107.96 166.19 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.528 -0.732 . . . . 0.0 109.927 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 75' ' ' ILE . 32.8 pt -121.72 -34.1 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.465 -0.772 . . . . 0.0 110.798 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.22 -147.42 6.24 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 34.3 mt-10 -133.28 -175.5 3.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.597 -0.943 . . . . 0.0 110.303 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 80' ' ' HIS . 8.9 tt -106.83 162.74 13.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.366 178.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.65 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.6 t-80 -81.37 118.43 72.22 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.606 -0.684 . . . . 0.0 110.203 178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -53.39 -23.12 23.03 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.141 1.074 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.69 -49.03 74.07 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.369 -0.832 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.689 ' HB3' HD22 ' A' ' 9' ' ' LEU . 48.3 m-20 -93.67 -22.38 18.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.502 -0.749 . . . . 0.0 110.708 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.541 ' CG ' HD22 ' A' ' 79' ' ' LEU . 1.4 tmm_? -58.27 -45.97 86.9 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.389 -0.82 . . . . 0.0 110.439 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' ILE . 1.3 m -90.07 8.17 34.05 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.532 -0.73 . . . . 0.0 111.074 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt 54.89 56.19 6.93 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.1 -1.0 . . . . 0.0 110.396 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.602 -0.686 . . . . 0.0 110.327 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.872 HG11 ' OE1' ' A' ' 78' ' ' GLU . 69.2 t -82.88 140.9 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.15 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -101.5 140.99 35.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.674 -0.641 . . . . 0.0 109.439 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.63 77.99 6.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.449 -0.782 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' A' ' 76' ' ' ILE . 34.1 m-85 -62.07 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.601 -0.687 . . . . 0.0 109.853 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 12' ' ' ILE . 76.2 p -136.59 168.55 19.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.484 -0.76 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HD21 ' A' ' 79' ' ' LEU . 4.5 tp -72.1 -31.85 66.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.645 -0.659 . . . . 0.0 110.095 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.79 -27.11 67.31 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.627 -0.67 . . . . 0.0 110.328 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -79.9 -28.85 39.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.522 -0.737 . . . . 0.0 110.417 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 24' ' ' ILE . 7.8 mt -88.12 -22.55 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.482 -0.761 . . . . 0.0 110.306 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -90.45 21.47 3.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.317 -0.864 . . . . 0.0 111.215 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -144.48 51.06 1.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.233 -0.917 . . . . 0.0 110.335 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -122.2 132.84 54.65 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.179 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.83 -167.94 1.59 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.132 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -70.47 0.52 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.632 -0.667 . . . . 0.0 110.215 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m 52.78 -159.65 0.12 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.413 -0.804 . . . . 0.0 110.749 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.75 -28.89 22.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.52 -0.738 . . . . 0.0 110.236 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.0 p -93.16 173.11 7.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.573 -0.705 . . . . 0.0 110.203 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.736 ' CG2' HD12 ' A' ' 36' ' ' LEU . 7.0 t -162.42 135.58 6.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.559 -0.713 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -94.42 77.53 3.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.709 -0.619 . . . . 0.0 109.905 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.742 HG11 ' CD2' ' A' ' 46' ' ' LEU . 58.8 t -79.61 117.5 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.609 -0.682 . . . . 0.0 109.865 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 12' ' ' ILE . 48.4 mm -79.42 136.68 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.52 -0.738 . . . . 0.0 110.544 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -133.58 84.61 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.659 -0.651 . . . . 0.0 109.671 176.852 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 54.56 87.58 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.462 -0.774 . . . . 0.0 110.746 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 54.05 26.79 6.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.5 -0.75 . . . . 0.0 111.266 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -135.77 142.17 44.9 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.311 -0.868 . . . . 0.0 110.409 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.4 t -107.58 126.18 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.541 -0.724 . . . . 0.0 109.65 177.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.494 ' HB3' HD11 ' A' ' 32' ' ' LEU . 24.5 m-85 -108.26 129.69 55.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.756 . . . . 0.0 111.129 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -102.91 82.93 2.16 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -91.89 42.54 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.634 -0.666 . . . . 0.0 110.653 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -62.12 -26.42 68.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.47 -0.768 . . . . 0.0 110.212 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.38 51.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.527 -0.733 . . . . 0.0 110.43 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 70' ' ' LEU . 85.6 t80 -89.91 -43.09 10.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 0.0 110.369 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.8 tt -50.66 -26.49 5.51 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.34 -0.85 . . . . 0.0 110.839 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -95.38 -21.89 18.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.559 -0.713 . . . . 0.0 110.669 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -79.52 -36.93 37.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.977 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 65.7 m80 -135.09 61.79 48.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 109.72 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -65.76 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.217 1.114 . . . . 0.0 111.324 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.73 -71.19 0.7 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.01 -66.32 0.03 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.41 -45.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.951 . . . . 0.0 109.866 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.29 98.45 8.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 46' ' ' LEU . 20.2 m -134.23 -47.33 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.291 -0.881 . . . . 0.0 110.765 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.85 HD11 HD13 ' A' ' 32' ' ' LEU . 1.4 mp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 121.592 -0.693 . . . . 0.0 111.365 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 73' ' ' THR . 9.5 tt0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 120.886 0.374 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.619 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -90.08 -65.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.486 -0.759 . . . . 0.0 109.816 176.609 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -71.57 65.05 0.45 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.509 -0.744 . . . . 0.0 110.064 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 25.4 tptt -167.23 -60.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.682 . . . . 0.0 109.936 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 69' ' ' GLU . 9.7 t -74.87 -23.48 58.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.56 -0.713 . . . . 0.0 110.491 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -89.95 47.47 1.46 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.393 -0.817 . . . . 0.0 110.25 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 30' ' ' TYR . 73.3 mt -125.7 156.29 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.412 -0.805 . . . . 0.0 110.246 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.8 pt -116.24 -24.79 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.668 -0.645 . . . . 0.0 110.886 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.699 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 174.0 -143.81 7.23 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.872 ' OE1' HG11 ' A' ' 4' ' ' VAL . 34.3 mt-10 -141.76 -170.05 3.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.54 -0.976 . . . . 0.0 110.234 176.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 9' ' ' LEU . 27.6 tp -100.06 153.17 19.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 110.113 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -72.83 134.07 81.67 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.651 -0.655 . . . . 0.0 110.01 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.4 Cg_exo -54.17 -22.56 26.14 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.118 1.062 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' ILE . 8.7 t0 -56.94 -60.27 3.82 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 0.0 110.824 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.751 ' HB3' HD22 ' A' ' 9' ' ' LEU . 55.5 m-20 -79.92 -8.3 59.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.51 -0.744 . . . . 0.0 111.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HG2' HD23 ' A' ' 79' ' ' LEU . 11.1 mmm180 -59.49 -82.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.181 -0.949 . . . . 0.0 110.496 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -90.75 -86.52 0.21 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.226 -0.921 . . . . 0.0 110.589 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 90.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.024 -1.047 . . . . 0.0 110.08 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.284 0 O-C-N 121.599 -0.688 . . . . 0.0 111.147 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.449 ' OD2' HG23 ' A' ' 4' ' ' VAL . 11.6 p-10 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.123 0.487 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 78' ' ' GLU . 97.7 t 53.29 91.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.779 . . . . 0.0 110.684 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 2.1 tttp -84.1 158.12 21.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.551 -0.718 . . . . 0.0 109.643 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -85.74 86.27 7.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.5 -0.75 . . . . 0.0 110.463 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.91 ' HB3' HD11 ' A' ' 12' ' ' ILE . 80.1 m-85 -75.04 135.35 41.25 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.601 -0.687 . . . . 0.0 109.8 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -92.04 130.52 37.76 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.532 -0.73 . . . . 0.0 110.083 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.617 HD21 ' C ' ' A' ' 83' ' ' ASP . 4.2 pp -57.22 -25.37 58.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.441 -0.787 . . . . 0.0 110.452 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.7 mm-40 -59.15 -38.76 80.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.495 -0.753 . . . . 0.0 110.161 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.42 -26.25 23.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.726 . . . . 0.0 110.548 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.91 HD11 ' HB3' ' A' ' 7' ' ' TYR . 70.5 mt -82.86 -18.98 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.523 -0.736 . . . . 0.0 110.694 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.92 48.91 1.69 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.212 -0.93 . . . . 0.0 110.32 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -168.48 33.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.031 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.13 -168.71 1.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.598 -0.689 . . . . 0.0 110.22 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -91.92 163.73 13.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.619 -0.676 . . . . 0.0 110.21 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -111.1 -27.51 8.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.514 -0.742 . . . . 0.0 110.36 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -60.52 -28.27 68.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.476 -0.765 . . . . 0.0 110.264 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -147.22 166.37 27.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.509 -0.744 . . . . 0.0 110.361 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t 52.88 69.08 0.74 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.355 -0.841 . . . . 0.0 110.785 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -76.96 113.93 15.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.541 -0.724 . . . . 0.0 110.314 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.456 ' HE3' HG23 ' A' ' 12' ' ' ILE . 8.5 m95 -99.03 66.44 1.55 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.448 -0.783 . . . . 0.0 110.131 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 46' ' ' LEU . 80.5 t -81.95 152.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.494 -0.754 . . . . 0.0 109.915 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 28' ' ' LYS . 5.0 mp -123.44 138.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.545 -0.722 . . . . 0.0 109.839 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 25' ' ' LEU . 3.0 mm? -82.31 -76.02 0.28 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.547 -0.721 . . . . 0.0 110.118 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -124.16 -51.85 1.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.529 -0.732 . . . . 0.0 109.728 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -142.25 24.12 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.628 -0.67 . . . . 0.0 110.241 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.0 mtmt -123.88 138.16 54.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.473 -0.767 . . . . 0.0 110.183 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.5 t -94.11 125.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.768 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 32' ' ' LEU . 29.9 m-85 -107.68 129.41 55.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.569 -0.707 . . . . 0.0 111.175 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 76' ' ' ILE . 22.1 t0 -105.93 77.95 1.29 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -87.93 49.74 1.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.628 -0.67 . . . . 0.0 110.466 -174.84 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -70.03 -25.3 63.5 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.395 -0.816 . . . . 0.0 110.266 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -75.81 -30.28 58.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.464 -0.773 . . . . 0.0 109.926 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 70' ' ' LEU . 75.8 t80 -74.9 -41.93 58.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 109.77 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HG ' HG11 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -60.71 -35.39 76.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.554 -0.716 . . . . 0.0 110.119 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.53 26.14 4.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -104.69 -30.18 10.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.515 -0.74 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -128.32 85.93 59.17 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.607 -0.683 . . . . 0.0 109.974 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.29 96.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.34 1.179 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.27 30.99 2.74 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.76 87.83 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 67.32 -63.05 0.3 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.659 -0.907 . . . . 0.0 110.844 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.57 38.54 1.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.851 . . . . 0.0 110.61 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 36' ' ' LEU . 97.1 t -73.29 170.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 O-C-N 121.456 -0.777 . . . . 0.0 109.508 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 32' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.503 2.18 0 O-C-N 121.318 -0.864 . . . . 0.0 111.089 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -90.75 -63.68 1.24 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.458 -0.777 . . . . 0.0 110.09 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -71.31 67.34 0.48 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 0.0 110.186 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -168.46 -40.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.503 -0.748 . . . . 0.0 110.071 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 73' ' ' THR . 8.3 t -99.31 -22.0 15.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.571 -0.706 . . . . 0.0 110.565 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 28.9 m-85 -90.91 47.76 1.45 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 178.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.0 mt -123.52 165.32 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.745 HD11 ' CG1' ' A' ' 29' ' ' VAL . 31.4 pt -127.63 -35.81 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.53 -0.732 . . . . 0.0 110.965 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.13 -154.23 11.8 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG3' HG13 ' A' ' 4' ' ' VAL . 10.8 mt-10 -110.92 -168.23 1.28 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.581 -0.952 . . . . 0.0 110.355 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 7' ' ' TYR . 69.1 tp -110.49 159.5 17.46 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.586 -0.696 . . . . 0.0 110.044 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -85.72 113.61 52.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.629 -0.669 . . . . 0.0 110.013 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.525 ' O ' HD13 ' A' ' 87' ' ' ILE . 50.4 Cg_exo -53.2 -22.79 20.81 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 O-C-N 123.185 1.097 . . . . 0.0 111.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -53.94 -54.3 40.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.32 -0.862 . . . . 0.0 111.266 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.617 ' C ' HD21 ' A' ' 9' ' ' LEU . 41.2 m-20 -83.94 -14.94 49.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.364 -0.835 . . . . 0.0 111.28 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HD3' HD23 ' A' ' 79' ' ' LEU . 10.9 mmm-85 -51.15 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.097 -1.002 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 t -90.87 -87.11 0.2 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.153 -0.967 . . . . 0.0 110.408 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.66 70.88 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.105 -0.997 . . . . 0.0 109.755 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 87' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.353 -0.842 . . . . 0.0 110.082 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.137 0.494 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.659 HG13 ' C ' ' A' ' 77' ' ' GLY . 94.3 t -80.77 145.1 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.591 -0.693 . . . . 0.0 110.067 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -156.07 0.59 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.572 -0.705 . . . . 0.0 109.903 176.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -132.53 96.39 3.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.495 -0.753 . . . . 0.0 110.298 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 76' ' ' ILE . 37.2 m-85 -81.5 135.21 35.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.574 -0.704 . . . . 0.0 110.251 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -67.08 151.69 47.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.587 -0.695 . . . . 0.0 110.04 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 83' ' ' ASP . 7.7 tp -66.49 -28.84 68.88 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.567 -0.708 . . . . 0.0 110.203 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -69.47 -27.84 65.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.573 -0.705 . . . . 0.0 110.194 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -26.27 49.21 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.534 -0.729 . . . . 0.0 110.396 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 24' ' ' ILE . 68.5 mt -83.8 -20.18 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.527 -0.733 . . . . 0.0 110.478 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -90.35 48.71 1.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.335 -0.853 . . . . 0.0 110.352 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 26.42 0.88 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -0.758 . . . . 0.0 110.452 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -98.64 -156.06 0.53 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 109.725 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 56.67 52.4 9.7 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.127 -0.983 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -168.36 -45.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.651 -0.656 . . . . 0.0 109.845 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.55 50.49 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.602 -0.686 . . . . 0.0 110.054 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.94 -152.67 0.45 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.51 -0.743 . . . . 0.0 109.928 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 33' ' ' THR . 18.7 m -102.23 -158.76 0.69 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 110.48 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 32' ' ' LEU . 7.2 t -103.53 86.84 2.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.442 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -80.0 75.76 6.73 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.465 -0.772 . . . . 0.0 110.273 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.6 137.74 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.591 -0.693 . . . . 0.0 109.332 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 12' ' ' ILE . 7.1 mt -109.77 136.85 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.378 -0.826 . . . . 0.0 110.456 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 30' ' ' TYR . 4.2 mm? -98.9 51.22 0.96 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.45 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m80 56.92 18.97 4.2 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.614 -0.679 . . . . 0.0 110.887 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -176.29 -62.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.0 110.04 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 24.1 mttp -80.75 147.55 30.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.683 -0.636 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.81 125.68 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.582 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CD1' HD23 ' A' ' 25' ' ' LEU . 23.3 m-85 -107.14 123.54 48.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 111.034 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' HG23 ' A' ' 33' ' ' THR . 14.1 t0 -105.48 85.58 2.27 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -96.8 69.69 2.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.543 -0.723 . . . . 0.0 110.28 -173.772 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.44 HG23 ' OD1' ' A' ' 31' ' ' ASP . 77.1 p -67.72 -41.59 83.25 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.422 -0.799 . . . . 0.0 109.964 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -60.53 -30.77 69.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.57 -0.706 . . . . 0.0 109.85 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 46' ' ' LEU . 80.8 t80 -80.65 -43.23 20.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.594 -0.691 . . . . 0.0 109.485 175.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.3 tm? -61.95 -30.28 70.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.779 -0.575 . . . . 0.0 109.738 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -77.37 -29.46 53.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.243 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -85.41 -28.9 24.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.574 -0.704 . . . . 0.0 110.206 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 67.1 m80 -119.62 84.84 31.32 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 110.252 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.98 103.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 O-C-N 123.357 1.188 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.79 -88.77 0.07 OUTLIER Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -173.26 -149.76 7.06 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.7 -72.39 0.19 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.974 . . . . 0.0 110.217 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.58 69.03 0.4 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.297 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.82 -19.37 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.518 -0.739 . . . . 0.0 110.683 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 32' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.268 -0.895 . . . . 0.0 110.15 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.071 0.462 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -81.29 -53.95 5.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.241 178.18 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -84.3 56.63 3.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.716 . . . . 0.0 110.23 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -146.03 -66.1 0.3 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.495 -0.753 . . . . 0.0 110.356 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.4 t -94.12 20.85 7.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.703 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 70' ' ' LEU . 36.2 m-85 -115.85 28.81 8.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.82 . . . . 0.0 109.796 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 30' ' ' TYR . 68.4 mt -113.79 157.99 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.537 -0.727 . . . . 0.0 110.789 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.836 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.6 pt -121.84 -26.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.667 -0.646 . . . . 0.0 111.092 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.659 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.06 -147.41 8.32 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG3' HG11 ' A' ' 4' ' ' VAL . 4.5 mt-10 -132.79 -166.81 1.81 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.518 -0.99 . . . . 0.0 110.744 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -103.34 132.29 49.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.732 -0.605 . . . . 0.0 109.846 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.635 ' N ' HD13 ' A' ' 79' ' ' LEU . 6.2 t-80 -60.86 114.55 10.69 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 173.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.74 -24.91 10.6 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 O-C-N 122.988 0.994 . . . . 0.0 111.687 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.14 -25.44 63.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.775 . . . . 0.0 110.802 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HD22 ' A' ' 9' ' ' LEU . 63.6 m-20 -134.07 -5.21 2.73 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.29 -0.881 . . . . 0.0 112.134 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD12 ' A' ' 79' ' ' LEU . 51.4 ttp180 -50.82 -48.79 59.72 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.938 -1.101 . . . . 0.0 110.845 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -90.18 -78.0 0.38 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.557 -0.714 . . . . 0.0 110.048 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -170.22 32.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.968 176.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 87' ' ' ILE . 3.6 mp . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.387 -0.821 . . . . 0.0 110.187 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.1 0.476 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.528 HG11 ' CD ' ' A' ' 78' ' ' GLU . 75.9 t -82.3 141.86 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.559 -0.713 . . . . 0.0 110.04 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -115.82 147.68 40.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 109.683 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 81' ' ' PRO . 10.1 m-85 -79.89 86.78 5.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.51 -0.744 . . . . 0.0 110.285 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -61.48 -169.36 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.617 -0.677 . . . . 0.0 110.066 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.2 p -130.88 147.9 52.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.561 -0.712 . . . . 0.0 110.279 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 79' ' ' LEU . 5.9 tp -60.89 -27.72 68.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.569 -0.707 . . . . 0.0 110.295 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.58 -31.12 61.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.525 -0.734 . . . . 0.0 110.356 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -79.72 -26.1 40.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.523 -0.736 . . . . 0.0 110.431 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 9' ' ' LEU . 57.3 mt -79.3 -32.6 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.514 -0.741 . . . . 0.0 109.994 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.33 48.7 1.59 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.6 -0.687 . . . . 0.0 110.42 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 58.84 0.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' CE1' ' NE1' ' A' ' 22' ' ' TRP . 24.1 m-70 -114.41 85.45 2.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.561 -0.712 . . . . 0.0 110.188 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -139.26 28.22 2.29 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.688 -0.632 . . . . 0.0 110.298 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -103.26 -72.33 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.16 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p -102.3 -158.25 0.66 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.623 -0.673 . . . . 0.0 110.043 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -103.8 137.03 42.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 110.08 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -170.54 -168.99 0.75 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.589 -0.694 . . . . 0.0 110.11 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -160.57 118.16 2.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.597 -0.69 . . . . 0.0 110.251 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.646 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.8 m95 -107.05 82.98 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.719 . . . . 0.0 110.123 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 46' ' ' LEU . 93.7 t -85.55 104.05 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.673 -0.642 . . . . 0.0 110.18 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 29' ' ' VAL . 44.6 mm -79.37 137.2 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.382 -0.824 . . . . 0.0 109.631 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.658 HD13 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -105.77 -83.71 0.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 110.245 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.0 m80 -110.24 -27.43 9.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.208 -0.933 . . . . 0.0 110.124 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 78' ' ' GLU . 8.6 t-160 -167.18 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.62 -0.675 . . . . 0.0 109.739 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.48 142.5 58.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.547 -0.721 . . . . 0.0 110.395 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.796 HG22 HD12 ' A' ' 24' ' ' ILE . 59.5 t -100.11 124.03 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.662 -0.649 . . . . 0.0 109.504 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 25' ' ' LEU . 24.8 m-85 -92.59 114.23 26.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.528 -0.733 . . . . 0.0 111.021 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.9 t0 -95.29 72.99 3.31 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 170.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.18 57.95 2.39 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.672 -0.643 . . . . 0.0 110.446 -174.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.3 p -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -60.63 -25.11 66.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.482 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 39' ' ' HIS . 9.2 t80 -89.97 -27.68 19.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.599 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.4 tt -65.16 -26.14 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.571 -0.706 . . . . 0.0 110.398 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.68 -25.4 12.72 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.577 -0.702 . . . . 0.0 110.529 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 50.9 tt0 -86.41 -40.9 14.91 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.378 -0.827 . . . . 0.0 110.011 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 46.9 m80 -132.83 65.28 73.87 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.592 -0.693 . . . . 0.0 109.813 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 45' ' ' VAL . 50.1 Cg_exo -52.44 -53.6 6.61 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 O-C-N 123.288 1.152 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.69 -68.6 0.99 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 -52.85 0.05 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -168.8 -66.46 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.549 -0.971 . . . . 0.0 110.031 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt-10 -100.41 -7.97 23.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.5 -0.75 . . . . 0.0 111.07 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 43.85 -168.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.814 0 O-C-N 121.34 -0.85 . . . . 0.0 111.5 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mp . . . . . 0 N--CA 1.5 2.046 0 O-C-N 121.444 -0.785 . . . . 0.0 111.233 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 121.049 0.452 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' ' 74' ' ' TYR . 6.7 tp -77.41 -25.46 50.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.599 -0.688 . . . . 0.0 110.38 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 p -72.03 64.52 0.53 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.287 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HA ' HD12 ' A' ' 75' ' ' ILE . 1.8 tptt -158.7 -68.16 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.558 -0.714 . . . . 0.0 109.89 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.677 HG23 ' CD1' ' A' ' 74' ' ' TYR . 9.0 t -63.18 -17.28 62.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.518 -0.738 . . . . 0.0 110.645 176.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.677 ' CD1' HG23 ' A' ' 73' ' ' THR . 64.9 m-85 -94.57 26.28 3.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.267 -0.896 . . . . 0.0 110.486 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 72' ' ' LYS . 70.2 mt -116.74 162.73 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.409 -0.807 . . . . 0.0 109.938 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD13 ' HB2' ' A' ' 31' ' ' ASP . 31.4 pt -124.89 -35.03 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' C ' HG13 ' A' ' 4' ' ' VAL . . . -175.34 -152.7 9.56 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' CD ' HG11 ' A' ' 4' ' ' VAL . 10.9 mt-10 -126.56 -167.71 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.632 -0.923 . . . . 0.0 110.124 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -106.83 166.31 10.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.557 -0.715 . . . . 0.0 109.984 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.5 ' N ' HD23 ' A' ' 79' ' ' LEU . 19.3 t-80 -81.07 133.01 55.05 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.728 . . . . 0.0 110.189 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 6' ' ' TYR . 50.4 Cg_exo -53.06 -23.73 22.89 Favored 'Trans proline' 0 N--CA 1.492 1.403 0 O-C-N 123.086 1.045 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.58 -55.16 37.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.377 -0.827 . . . . 0.0 110.532 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.53 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.2 m-20 -79.89 -24.0 41.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.56 -0.713 . . . . 0.0 110.387 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 3.6 tpm_? -58.03 -61.89 2.21 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.347 -0.846 . . . . 0.0 110.061 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -79.8 -149.0 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.652 -0.655 . . . . 0.0 109.445 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.837 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -110.55 -92.62 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.915 . . . . 0.0 109.361 175.847 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 86' ' ' LYS . 33.8 mm . . . . . 0 N--CA 1.497 1.907 0 O-C-N 120.896 -1.128 . . . . 0.0 109.958 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 121.077 0.465 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 78' ' ' GLU . 74.8 t -123.34 141.7 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.565 -0.709 . . . . 0.0 110.054 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -117.96 156.8 27.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.62 -0.675 . . . . 0.0 109.751 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.18 93.34 9.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 110.34 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.6 m-85 -75.64 -168.53 0.87 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.633 -0.667 . . . . 0.0 110.037 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p -125.94 163.84 22.09 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 83' ' ' ASP . 4.6 tp -72.74 -38.48 67.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.66 -0.65 . . . . 0.0 110.083 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.57 -27.62 67.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 0.0 110.298 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -90.28 -30.84 17.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.549 -0.719 . . . . 0.0 110.755 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CG2' HD11 ' A' ' 24' ' ' ILE . 73.6 mt -90.21 -54.16 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.477 -0.764 . . . . 0.0 110.378 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -55.54 -22.21 20.51 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.483 -0.761 . . . . 0.0 110.96 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -59.27 -27.45 65.83 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.462 -0.774 . . . . 0.0 110.412 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.8 m-70 -79.82 160.08 26.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 177.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.62 -42.42 0.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.564 -0.71 . . . . 0.0 110.461 178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -169.04 -37.59 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.5 -0.75 . . . . 0.0 110.832 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -50.32 100.95 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 62.03 136.2 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.564 0.697 . . . . 0.0 110.866 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m 51.04 -173.4 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.371 -0.831 . . . . 0.0 111.054 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -157.4 118.79 3.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.517 -0.739 . . . . 0.0 110.35 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -93.7 75.6 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.769 . . . . 0.0 109.782 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.886 HG21 HD11 ' A' ' 46' ' ' LEU . 52.4 t -79.34 159.83 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.587 -0.696 . . . . 0.0 109.414 178.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.3 mp -137.99 136.29 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.686 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 30' ' ' TYR . 3.8 mm? -89.02 55.86 3.49 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 57.8 17.0 3.89 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.765 -0.584 . . . . 0.0 111.196 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -177.34 -62.31 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.086 -1.009 . . . . 0.0 110.088 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.04 127.45 33.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.623 -0.673 . . . . 0.0 110.414 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.3 t -87.81 128.95 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.552 -0.718 . . . . 0.0 109.583 176.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.733 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -106.87 137.69 44.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.682 . . . . 0.0 111.289 -178.416 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.3 t70 -109.65 84.12 1.87 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.61 27.94 2.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.591 -0.693 . . . . 0.0 110.602 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -58.86 -26.69 64.45 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.331 -0.856 . . . . 0.0 110.45 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -84.74 -29.08 25.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.193 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 83.2 t80 -84.1 -34.62 24.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.529 -0.732 . . . . 0.0 110.195 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -42.92 96.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.556 -0.715 . . . . 0.0 110.265 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.57 -21.48 38.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.709 -0.619 . . . . 0.0 110.733 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 16.1 mt-10 -79.44 -27.31 41.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 15.7 m80 -111.78 95.66 29.41 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.067 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.58 102.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.398 1.21 . . . . 0.0 111.009 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.13 -73.39 0.17 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' C ' HG22 ' A' ' 45' ' ' VAL . . . 90.95 -50.99 3.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -83.41 -46.6 12.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.683 -0.893 . . . . 0.0 110.234 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 45' ' ' VAL . 7.9 pt-20 -59.41 -26.1 64.87 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.47 -0.769 . . . . 0.0 110.549 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 44' ' ' GLU . 33.7 m -88.95 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.497 -0.752 . . . . 0.0 110.069 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.886 HD11 HG21 ' A' ' 23' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.16 0 O-C-N 121.296 -0.877 . . . . 0.0 110.72 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.092 0.472 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 3.3 mm? -82.67 -28.3 30.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 110.324 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -72.07 64.42 0.53 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 110.195 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' HD11 ' A' ' 75' ' ' ILE . 12.4 tptt -168.88 -41.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 110.116 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -96.53 -23.85 16.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 110.58 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 11.9 m-85 -90.76 48.14 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 110.252 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.444 HD11 ' HA ' ' A' ' 72' ' ' LYS . 71.7 mt -112.83 162.71 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.465 -0.772 . . . . 0.0 109.817 178.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 ' CG1' ' A' ' 29' ' ' VAL . 42.6 pt -119.99 -31.82 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.448 -0.783 . . . . 0.0 110.968 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.406 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.21 -155.27 15.55 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 4' ' ' VAL . 5.0 mt-10 -126.44 -167.21 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.607 -0.937 . . . . 0.0 110.422 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 9' ' ' LEU . 64.3 tp -109.27 158.24 18.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.064 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -83.48 135.91 43.24 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 109.622 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.87 -21.75 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 O-C-N 123.132 1.07 . . . . 0.0 111.858 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -63.66 -13.68 44.9 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.267 -0.896 . . . . 0.0 111.735 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.777 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.5 m-20 -125.46 -3.13 7.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.0 111.415 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -51.08 175.84 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.151 -0.968 . . . . 0.0 110.941 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 t -56.16 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.586 -0.696 . . . . 0.0 111.261 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 56.38 88.99 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.822 . . . . 0.0 110.607 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.186 0.517 . . . . 0.0 110.105 175.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 121.057 0.456 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.806 HG11 ' CD ' ' A' ' 78' ' ' GLU . 79.1 t -63.72 150.83 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.599 -0.688 . . . . 0.0 110.112 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.12 -167.9 1.33 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.719 -0.613 . . . . 0.0 109.568 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.84 87.53 2.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.371 -0.83 . . . . 0.0 110.29 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 31.0 m-85 -61.4 -164.27 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.626 -0.671 . . . . 0.0 110.085 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.95 154.37 37.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.467 -0.771 . . . . 0.0 110.393 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 79' ' ' LEU . 13.9 tp -63.86 -28.44 69.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.628 -0.67 . . . . 0.0 110.25 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -74.7 -28.01 60.63 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.549 -0.72 . . . . 0.0 110.275 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.57 -28.73 64.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.212 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 79' ' ' LEU . 45.7 mt -94.66 -29.32 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.564 -0.71 . . . . 0.0 109.991 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.8 20.05 5.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.561 -0.712 . . . . 0.0 111.081 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -133.21 31.05 3.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.246 -0.909 . . . . 0.0 110.281 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -116.86 81.21 1.6 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -28.62 68.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.514 -0.741 . . . . 0.0 110.277 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -168.15 -66.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 p 49.57 31.78 4.42 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.527 -0.733 . . . . 0.0 111.112 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt 66.56 -66.78 0.17 Allowed 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.513 -0.742 . . . . 0.0 110.711 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -67.37 -177.98 0.79 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 110.119 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' THR . 7.3 t -137.74 126.09 23.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.564 -0.71 . . . . 0.0 110.294 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -99.89 84.64 2.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.583 -0.698 . . . . 0.0 110.249 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' C ' HD12 ' A' ' 24' ' ' ILE . 64.6 t -85.8 165.38 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.508 -0.745 . . . . 0.0 109.991 177.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -140.29 143.54 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.551 -0.718 . . . . 0.0 109.672 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 24' ' ' ILE . 7.8 mp -123.77 -79.73 0.62 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.458 -0.776 . . . . 0.0 110.495 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -108.41 78.05 1.14 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.297 -0.877 . . . . 0.0 109.846 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 54.63 22.24 3.9 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.0 110.677 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -119.84 141.24 49.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.614 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 76' ' ' ILE . 46.5 t -93.49 140.74 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.547 -0.721 . . . . 0.0 110.066 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -113.96 132.91 55.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.689 -0.632 . . . . 0.0 111.031 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.678 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.6 t0 -108.98 86.06 2.21 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -95.56 31.06 2.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.656 -0.653 . . . . 0.0 110.515 -175.197 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -62.91 -27.17 69.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.45 -0.781 . . . . 0.0 110.357 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -88.22 -28.94 20.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.14 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CD1' HD13 ' A' ' 70' ' ' LEU . 37.3 t80 -79.65 -27.28 40.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.58 -0.7 . . . . 0.0 110.238 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.3 tt -59.81 -28.8 67.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.424 -0.797 . . . . 0.0 110.29 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -112.0 29.61 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.597 -0.689 . . . . 0.0 110.156 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.84 -53.41 2.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 110.305 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -117.44 80.56 13.01 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.14 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.473 1.249 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.75 -94.36 2.14 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.25 50.19 0.79 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 56.55 -85.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.713 -0.875 . . . . 0.0 110.759 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -94.3 107.58 19.52 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.154 -0.966 . . . . 0.0 110.157 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.96 -24.55 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.543 -0.723 . . . . 0.0 110.531 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 32' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.497 1.889 0 O-C-N 121.446 -0.784 . . . . 0.0 110.434 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 121.062 0.458 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 35' ' ' PHE . 6.6 mt -90.04 -27.85 19.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.545 -0.722 . . . . 0.0 110.253 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -72.08 64.67 0.54 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.062 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -169.42 -39.58 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.445 -0.784 . . . . 0.0 110.27 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -98.29 -16.04 19.54 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.44 -0.788 . . . . 0.0 110.834 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.78 23.4 4.8 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.292 -0.88 . . . . 0.0 110.654 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 9.0 mm -88.39 163.73 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.332 -0.855 . . . . 0.0 109.402 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ASP . 37.5 pt -121.72 -33.01 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.428 -0.795 . . . . 0.0 111.024 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.736 ' HA2' HG13 ' A' ' 4' ' ' VAL . . . -179.06 -162.2 27.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.806 ' CD ' HG11 ' A' ' 4' ' ' VAL . 12.3 mt-10 -118.97 -173.25 2.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.621 -0.929 . . . . 0.0 110.205 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 9' ' ' LEU . 9.0 tt -108.36 150.28 27.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.676 . . . . 0.0 110.079 177.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.36 111.57 4.21 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.611 -0.681 . . . . 0.0 110.147 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.13 -24.01 24.39 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 O-C-N 123.196 1.103 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.24 -28.11 66.39 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.464 -0.773 . . . . 0.0 110.448 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB3' HD22 ' A' ' 9' ' ' LEU . 73.5 m-20 -102.62 -24.68 13.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.566 -0.709 . . . . 0.0 110.434 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -56.54 -64.31 0.91 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.392 -0.818 . . . . 0.0 109.909 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -148.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.801 ' O ' HD13 ' A' ' 87' ' ' ILE . 14.3 mmmm -122.66 -95.13 0.48 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.098 -1.001 . . . . 0.0 109.732 175.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 86' ' ' LYS . 39.9 mm . . . . . 0 N--CA 1.496 1.871 0 O-C-N 120.931 -1.106 . . . . 0.0 109.933 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.086 0.47 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.4 t 53.99 103.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.509 -0.744 . . . . 0.0 110.578 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 55.5 tttt -85.49 161.0 19.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.578 -0.701 . . . . 0.0 109.432 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -87.16 93.45 9.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.442 -0.786 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 49.6 m-85 -76.07 -164.05 0.34 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.683 -0.635 . . . . 0.0 109.326 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' ILE . 50.8 p -142.3 148.24 37.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.326 -0.859 . . . . 0.0 110.621 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.8 tp -59.9 -26.79 66.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.698 -0.626 . . . . 0.0 110.379 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.39 -51.27 12.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.547 -0.721 . . . . 0.0 110.407 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -30.93 70.66 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.522 HG22 HD11 ' A' ' 24' ' ' ILE . 45.1 mt -76.88 -29.14 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.95 177.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.91 20.79 4.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.587 -0.695 . . . . 0.0 111.017 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -128.44 29.65 5.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.202 -0.936 . . . . 0.0 110.258 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -124.42 91.61 3.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.61 -0.682 . . . . 0.0 110.161 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -112.87 -31.57 6.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.311 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.89 -156.6 0.12 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.499 -0.751 . . . . 0.0 110.242 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.7 m 52.75 -176.22 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.492 -0.755 . . . . 0.0 110.837 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 36' ' ' LEU . 24.8 ttpp -113.6 19.66 16.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.555 -0.715 . . . . 0.0 110.733 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -98.96 99.29 10.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.283 -0.885 . . . . 0.0 110.293 178.262 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -76.77 124.26 27.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.631 -0.668 . . . . 0.0 110.265 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -102.19 80.95 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.535 -0.728 . . . . 0.0 110.332 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 46' ' ' LEU . 62.3 t -79.54 144.43 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.452 -0.78 . . . . 0.0 109.219 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 12' ' ' ILE . 5.8 mt -114.09 136.3 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.425 -0.797 . . . . 0.0 110.574 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 1.8 mm? -104.81 63.51 0.72 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.18 29.03 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' NH1' ' A' ' 84' ' ' ARG . 21.7 t-160 -177.83 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 0.0 109.763 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -82.86 160.57 22.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 110.707 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.65 127.81 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.767 -0.583 . . . . 0.0 109.505 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 16.4 m-85 -103.76 116.84 33.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.636 -0.665 . . . . 0.0 111.123 -176.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' HB2' HD13 ' A' ' 76' ' ' ILE . 19.4 t0 -98.8 73.22 1.99 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -79.75 65.5 4.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.775 -0.578 . . . . 0.0 109.987 -175.879 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 20' ' ' SER . 68.1 p -63.28 -50.57 69.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.73 . . . . 0.0 110.412 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -59.1 -27.92 66.03 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.547 -0.721 . . . . 0.0 110.368 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.734 ' CE1' HG23 ' A' ' 45' ' ' VAL . 22.5 t80 -73.17 -39.49 65.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.565 -0.709 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -57.19 -25.96 59.85 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 110.521 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.53 -29.04 28.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 110.627 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -65.84 0.95 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.357 -0.839 . . . . 0.0 109.988 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CZ ' ' A' ' 35' ' ' PHE . 76.7 m80 -79.83 169.74 18.81 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.481 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.7 -30.15 36.15 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 O-C-N 123.198 1.104 . . . . 0.0 110.579 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 75.23 -61.57 2.66 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 173.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 25.22 27.44 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -145.88 -82.85 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.424 -1.045 . . . . 0.0 110.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -100.31 72.6 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.548 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' CE1' ' A' ' 35' ' ' PHE . 13.5 p -110.28 136.73 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.611 -0.681 . . . . 0.0 110.575 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.501 2.108 0 O-C-N 121.519 -0.738 . . . . 0.0 111.555 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.15 0.5 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -91.22 23.51 3.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.513 -0.742 . . . . 0.0 111.036 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -69.48 73.93 0.37 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.377 -0.827 . . . . 0.0 110.059 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -167.64 -45.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.561 -0.712 . . . . 0.0 110.351 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.8 p -93.84 20.37 7.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.509 -0.745 . . . . 0.0 110.687 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 70' ' ' LEU . 55.6 m-85 -134.01 28.14 3.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.43 -0.794 . . . . 0.0 109.908 177.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.439 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.8 mt -109.72 163.83 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.523 -0.735 . . . . 0.0 110.517 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 31' ' ' ASP . 30.4 pt -124.82 -35.59 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.71 -0.619 . . . . 0.0 110.756 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.54 -167.66 40.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -113.26 153.3 28.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.719 -0.871 . . . . 0.0 110.165 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 84' ' ' ARG . 3.6 pp -74.76 177.71 5.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.569 -0.707 . . . . 0.0 110.483 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.584 ' O ' HD12 ' A' ' 79' ' ' LEU . 13.2 t-80 -79.05 129.71 72.11 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.088 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' ARG . 50.5 Cg_exo -51.76 -24.19 17.55 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 O-C-N 123.194 1.102 . . . . 0.0 111.473 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.25 -28.43 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.391 -0.818 . . . . 0.0 111.113 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.582 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.9 m-20 -117.08 -12.01 10.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.797 . . . . 0.0 111.04 177.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.674 ' HB2' HD11 ' A' ' 79' ' ' LEU . 7.0 tmm_? -61.03 -64.15 1.05 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.476 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -90.31 -92.72 0.13 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.45 -0.781 . . . . 0.0 110.356 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -175.54 59.16 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.752 -1.218 . . . . 0.0 110.136 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.334 -0.854 . . . . 0.0 110.463 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.097 0.475 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -151.86 28.97 0.6 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.527 -0.733 . . . . 0.0 110.229 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -135.35 98.19 3.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 78' ' ' GLU . 76.9 t 53.64 101.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.401 -0.812 . . . . 0.0 110.639 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -89.61 151.12 22.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 109.768 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.91 85.28 5.56 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.539 -0.726 . . . . 0.0 110.303 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -61.74 -168.69 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.709 . . . . 0.0 109.966 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.3 p -125.79 167.72 14.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.381 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.071 HD12 HD11 ' A' ' 79' ' ' LEU . 3.6 tp -76.11 -35.37 59.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.655 -0.653 . . . . 0.0 110.285 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -69.61 -29.99 67.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.51 -0.744 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.63 -28.95 51.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 79' ' ' LEU . 80.0 mt -88.94 -34.31 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -90.35 48.69 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -150.35 28.88 0.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.489 -0.757 . . . . 0.0 110.208 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 74.9 m-70 -101.66 48.1 0.89 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.591 -0.693 . . . . 0.0 110.253 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -80.6 -29.63 36.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.518 -0.739 . . . . 0.0 110.146 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.95 -157.97 0.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.55 -0.719 . . . . 0.0 110.152 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 52.99 -159.34 0.13 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.422 -0.799 . . . . 0.0 110.78 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -121.76 -155.2 0.63 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.552 -0.718 . . . . 0.0 109.691 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m 53.13 98.53 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.257 -0.902 . . . . 0.0 110.802 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.4 t -75.64 136.82 40.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 110.347 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CH2' HD12 ' A' ' 76' ' ' ILE . 4.8 m95 -107.29 76.64 1.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.58 -0.7 . . . . 0.0 110.13 177.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.688 HG22 ' CD ' ' A' ' 48' ' ' GLU . 58.1 t -79.85 166.89 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.717 . . . . 0.0 109.918 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -134.25 138.16 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.702 . . . . 0.0 109.89 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.5 mm? -86.16 -76.2 0.35 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.582 -0.699 . . . . 0.0 109.993 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -125.29 -53.01 1.61 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.477 -0.764 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -141.31 20.65 2.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.7 -0.625 . . . . 0.0 110.231 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -119.03 140.23 50.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.413 -0.805 . . . . 0.0 110.169 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 76' ' ' ILE . 56.9 t -91.79 126.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.61 -0.681 . . . . 0.0 109.749 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -106.45 118.01 35.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 11.2 t0 -95.07 73.74 3.44 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -81.72 57.42 3.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.646 -0.658 . . . . 0.0 110.164 -175.316 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.2 t -69.4 -25.86 64.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.392 -0.817 . . . . 0.0 110.547 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.48 -26.08 38.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.526 -0.734 . . . . 0.0 110.396 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 72.6 t80 -84.66 -28.97 26.04 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.768 . . . . 0.0 110.192 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 ' HG2' ' A' ' 43' ' ' GLU . 5.8 tt -60.26 -34.09 73.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.55 -0.719 . . . . 0.0 110.238 178.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -104.17 28.71 6.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.237 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -110.1 -48.8 3.14 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.583 -0.698 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 41.1 m80 -115.73 84.48 12.8 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.593 -0.692 . . . . 0.0 110.133 177.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.05 91.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 O-C-N 123.408 1.215 . . . . 0.0 111.05 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.04 -46.32 0.07 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.81 36.28 0.23 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG2' HD21 ' A' ' 36' ' ' LEU . 7.5 mt-10 55.53 -87.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.68 -0.894 . . . . 0.0 110.807 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.7 106.49 18.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.084 -1.01 . . . . 0.0 110.355 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.62 26.6 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.361 -0.837 . . . . 0.0 110.481 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -87.65 53.12 2.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.456 -0.777 . . . . 0.0 110.299 177.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' CG ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER 52.23 75.36 0.23 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.386 -0.821 . . . . 0.0 110.957 177.537 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.688 ' CD ' HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -169.13 40.01 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.542 -0.724 . . . . 0.0 110.278 177.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -129.24 -43.94 1.29 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.545 -0.722 . . . . 0.0 110.171 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.9 28.65 8.61 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.517 -0.739 . . . . 0.0 110.221 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.02 -144.71 49.72 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.93 30.23 3.05 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 52.72 79.89 0.11 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.417 -1.049 . . . . 0.0 110.796 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.66 -166.87 0.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.426 -0.797 . . . . 0.0 110.782 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' CG ' ' A' ' 47' ' ' ARG . 3.7 m -100.31 47.49 0.93 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.186 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 52.74 -153.8 0.23 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.324 -0.86 . . . . 0.0 110.498 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -58.67 -36.41 74.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.33 -158.51 0.17 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.0 109.974 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.28 135.76 38.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.706 . . . . 0.0 110.17 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -82.1 149.64 27.92 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.594 -0.691 . . . . 0.0 110.157 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 61' ' ' VAL . 34.2 m -100.15 35.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.614 -0.679 . . . . 0.0 110.32 178.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.35 -58.98 9.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -111.33 34.07 4.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.614 -0.933 . . . . 0.0 110.303 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -118.24 150.19 39.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.684 . . . . 0.0 110.228 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -124.2 -41.97 2.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 110.217 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.49 49.89 1.31 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.56 -0.712 . . . . 0.0 110.214 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.81 82.82 7.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.584 -0.697 . . . . 0.0 110.196 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -135.58 -50.67 0.73 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.598 -0.689 . . . . 0.0 110.19 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -139.03 40.09 2.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.564 -0.71 . . . . 0.0 110.231 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' ' CE1' ' A' ' 74' ' ' TYR . 1.2 tt -81.35 -27.41 34.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.568 -0.708 . . . . 0.0 110.306 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -94.54 43.35 1.1 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 0.0 110.205 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.9 tttt -146.11 -67.58 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.57 -0.706 . . . . 0.0 110.154 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.627 HG23 ' CD1' ' A' ' 74' ' ' TYR . 10.8 t -67.05 -12.6 60.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.504 -0.748 . . . . 0.0 111.011 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.627 ' CD1' HG23 ' A' ' 73' ' ' THR . 78.3 m-85 -94.48 25.27 4.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.215 -0.928 . . . . 0.0 110.453 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.5 mt -114.08 164.88 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.36 -0.838 . . . . 0.0 110.403 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.531 HD12 ' CH2' ' A' ' 22' ' ' TRP . 29.1 pt -127.62 -36.7 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.867 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.12 -151.37 9.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' HG13 ' A' ' 4' ' ' VAL . 22.8 mt-10 -120.54 -175.41 3.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.997 . . . . 0.0 110.318 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -109.86 147.12 33.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.597 -0.689 . . . . 0.0 110.162 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.461 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -61.19 112.16 5.39 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.535 -0.728 . . . . 0.0 109.969 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.05 -26.11 24.58 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 O-C-N 123.103 1.054 . . . . 0.0 111.1 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.37 -25.84 64.59 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.587 -0.696 . . . . 0.0 110.527 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.609 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -99.74 -22.64 15.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.469 -0.769 . . . . 0.0 110.724 178.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.676 ' HG2' HD22 ' A' ' 79' ' ' LEU . 5.9 mmm180 -56.11 -172.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.334 -0.854 . . . . 0.0 110.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 m -74.03 76.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.593 -0.692 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.61 75.69 0.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.157 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.618 ' O ' HG22 ' A' ' 87' ' ' ILE . 50.8 mm -97.02 28.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.65 -176.19 5.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.077 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -137.47 63.09 39.85 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.582 -0.699 . . . . 0.0 110.189 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.1 159.22 5.73 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 O-C-N 123.27 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.7 t 52.78 -159.26 0.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.394 -0.817 . . . . 0.0 110.802 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 52.93 31.73 11.37 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.784 . . . . 0.0 110.76 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -140.63 -45.25 0.4 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.566 -0.709 . . . . 0.0 110.182 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.255 178.042 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.07 0.462 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -124.17 28.86 6.59 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.513 -0.742 . . . . 0.0 110.229 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.34 109.09 20.58 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.611 -0.68 . . . . 0.0 110.225 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 5' ' ' LYS . 87.0 t 56.79 166.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 121.534 0.683 . . . . 0.0 110.704 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 4' ' ' VAL . 66.1 tttt -144.48 142.32 30.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.575 -0.703 . . . . 0.0 109.649 177.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -79.9 78.89 6.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.558 -0.713 . . . . 0.0 110.346 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -61.76 -168.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.635 -0.666 . . . . 0.0 109.914 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HD12 ' A' ' 12' ' ' ILE . 75.7 p -125.02 177.34 6.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.183 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD11 HD21 ' A' ' 79' ' ' LEU . 3.9 mp -83.32 -44.25 15.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.611 -0.68 . . . . 0.0 110.169 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.67 -26.95 67.47 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 110.458 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.19 -40.85 21.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.477 -0.765 . . . . 0.0 110.281 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.9 mt -77.47 -26.78 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.595 -0.69 . . . . 0.0 110.217 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.19 49.13 1.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.461 -0.774 . . . . 0.0 110.341 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -159.95 32.47 0.18 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.536 -0.728 . . . . 0.0 110.251 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -121.7 92.96 3.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.541 -0.725 . . . . 0.0 110.206 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -167.7 32.67 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.56 -0.713 . . . . 0.0 110.308 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -168.57 -40.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.566 -0.708 . . . . 0.0 110.256 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 p -82.2 57.91 3.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.465 -0.772 . . . . 0.0 110.333 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 55.85 173.67 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.268 -0.895 . . . . 0.0 110.713 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 t 53.45 179.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.614 -0.679 . . . . 0.0 110.844 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -158.51 133.73 8.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 110.302 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -104.42 75.45 1.24 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.524 -0.735 . . . . 0.0 110.094 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.59 145.04 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.5 -0.75 . . . . 0.0 109.897 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -116.78 138.18 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 0.0 109.797 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.755 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -88.54 -38.21 15.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.605 -0.684 . . . . 0.0 109.909 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -170.08 -39.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.573 -0.704 . . . . 0.0 109.688 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -138.98 -44.29 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.728 -0.607 . . . . 0.0 109.71 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.42 133.64 48.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 110.334 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 128.18 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.694 -0.629 . . . . 0.0 109.522 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.755 ' CE1' HD23 ' A' ' 25' ' ' LEU . 21.6 m-85 -99.69 124.58 45.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.731 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' HB2' HG21 ' A' ' 76' ' ' ILE . 38.9 t70 -98.15 79.22 2.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 170.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.33 48.41 1.63 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.631 -0.668 . . . . 0.0 110.619 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -69.55 -23.99 63.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 0.0 110.426 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -26.73 31.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.469 -0.769 . . . . 0.0 110.276 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.469 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 57.2 t80 -90.52 17.15 7.75 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.463 -0.773 . . . . 0.0 110.971 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 43' ' ' GLU . 1.1 tt -106.52 -29.28 9.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.243 -0.911 . . . . 0.0 110.21 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -97.62 -25.51 15.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.596 -0.69 . . . . 0.0 110.475 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.79 -28.21 40.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.431 -0.793 . . . . 0.0 110.308 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.469 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 28.7 m80 -117.78 82.66 16.88 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.547 -0.721 . . . . 0.0 110.228 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.0 103.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 O-C-N 123.372 1.196 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -127.02 -44.91 0.23 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.3 90.22 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' HD11 ' A' ' 36' ' ' LEU . 22.4 mt-10 56.28 -86.7 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.588 -0.948 . . . . 0.0 110.765 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.19 96.5 7.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.068 -1.02 . . . . 0.0 110.179 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 46' ' ' LEU . 34.6 m -73.13 -22.95 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.439 -0.788 . . . . 0.0 110.603 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -73.15 63.57 0.71 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.438 -0.789 . . . . 0.0 110.361 178.438 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 51.5 25.53 2.75 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.328 -0.857 . . . . 0.0 111.013 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 52.45 53.27 12.59 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.362 -0.836 . . . . 0.0 110.819 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 53.01 -178.21 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.396 -0.815 . . . . 0.0 110.746 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.78 87.41 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.348 -0.845 . . . . 0.0 110.767 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.85 176.95 27.61 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.59 75.89 0.04 OUTLIER Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -158.04 -167.72 2.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.548 -0.972 . . . . 0.0 110.162 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.72 42.62 1.09 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.566 -0.709 . . . . 0.0 110.212 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 m 52.87 41.14 31.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.411 -0.805 . . . . 0.0 110.8 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.58 -64.39 1.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.598 -0.689 . . . . 0.0 110.175 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -91.25 78.16 5.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.121 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -82.44 -50.17 9.16 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.503 -0.748 . . . . 0.0 110.192 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.88 31.74 2.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.618 -0.676 . . . . 0.0 110.227 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 38.47 -155.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 61' ' ' VAL . 7.6 p -117.27 63.83 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.496 -0.753 . . . . 0.0 110.209 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -108.34 -44.76 1.13 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -87.87 145.6 25.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.602 -0.94 . . . . 0.0 110.214 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 98.43 8.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.594 -0.691 . . . . 0.0 110.171 178.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -154.79 166.88 32.07 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.63 -0.669 . . . . 0.0 110.221 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -148.99 -44.97 0.14 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.201 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.62 -70.22 0.56 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.567 -0.708 . . . . 0.0 110.218 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -83.05 -173.45 4.72 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.645 -0.659 . . . . 0.0 110.216 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -150.87 -179.15 7.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.485 -0.759 . . . . 0.0 110.177 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 4.5 tp -81.22 -25.34 36.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.631 -0.668 . . . . 0.0 110.439 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 p -72.06 64.83 0.54 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.498 -0.751 . . . . 0.0 110.04 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -155.23 -46.13 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 110.039 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -100.12 27.26 5.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.585 -0.697 . . . . 0.0 110.105 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -129.61 28.82 5.12 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.56 -0.713 . . . . 0.0 110.034 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.6 mt -110.4 164.55 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.528 -0.732 . . . . 0.0 110.157 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 31' ' ' ASP . 33.9 pt -125.44 -34.66 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.573 -0.704 . . . . 0.0 111.066 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -178.83 -158.58 21.6 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.91 -169.57 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.949 . . . . 0.0 110.225 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.681 HD21 HD11 ' A' ' 9' ' ' LEU . 9.1 tt -106.36 150.8 25.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.577 -0.702 . . . . 0.0 110.115 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -58.78 110.78 2.89 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.527 -0.733 . . . . 0.0 110.256 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.38 -24.1 26.47 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.15 1.079 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -27.31 64.89 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.521 -0.737 . . . . 0.0 110.502 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.84 -28.16 10.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.466 -0.771 . . . . 0.0 110.348 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.524 ' HB2' HD22 ' A' ' 79' ' ' LEU . 2.1 ttp180 -75.74 -41.11 54.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 0.0 110.22 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -154.38 0.28 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.598 -0.689 . . . . 0.0 110.131 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.78 79.13 1.47 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 109.967 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.584 ' O ' HG22 ' A' ' 87' ' ' ILE . 3.3 mp -88.72 48.35 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.308 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.8 18.72 6.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.388 -0.82 . . . . 0.0 110.951 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' N ' ' CD ' ' A' ' 90' ' ' PRO . 16.4 mttt -85.25 -50.19 0.55 Allowed Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.276 -0.89 . . . . 0.0 110.624 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 89' ' ' LYS . 50.0 Cg_exo -51.41 99.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 O-C-N 123.114 1.06 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -167.27 96.44 0.49 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.626 -0.671 . . . . 0.0 110.127 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 56.26 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.684 -0.635 . . . . 0.0 110.815 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 p -123.8 155.86 37.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.098 -1.001 . . . . 0.0 110.175 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.517 ' C ' HD23 ' A' ' 94' ' ' LEU . 5.7 tt . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.199 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.108 0.48 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -117.49 -53.82 2.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.561 -0.712 . . . . 0.0 110.217 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.59 37.32 0.06 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.608 -0.682 . . . . 0.0 110.215 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.1 t -143.71 135.3 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.516 -0.74 . . . . 0.0 110.065 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -104.28 145.33 30.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.688 -0.632 . . . . 0.0 109.542 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.78 83.65 5.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.506 -0.747 . . . . 0.0 110.426 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -73.34 135.07 44.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.651 -0.655 . . . . 0.0 109.893 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -74.95 163.64 27.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.529 -0.732 . . . . 0.0 110.358 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.7 tp -78.78 -26.98 44.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.428 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -75.87 -27.69 57.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.482 -0.761 . . . . 0.0 110.371 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 7.1 tt0 -75.13 -39.54 60.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.502 -0.749 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD12 HD12 ' A' ' 79' ' ' LEU . 80.6 mt -68.06 -26.29 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.503 -0.748 . . . . 0.0 110.242 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.12 48.72 1.6 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 110.407 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.79 28.87 0.27 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.448 -0.782 . . . . 0.0 110.096 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 57.6 m-70 -114.65 -167.17 1.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.304 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -143.87 -167.65 2.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.539 -0.726 . . . . 0.0 110.12 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -105.12 -156.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.534 -0.729 . . . . 0.0 110.208 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.38 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.613 -0.68 . . . . 0.0 110.918 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 33' ' ' THR . 17.6 tttm -58.03 -34.41 70.03 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.22 -0.925 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -168.0 166.66 13.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.506 -0.746 . . . . 0.0 110.26 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.724 ' HB ' HD11 ' A' ' 36' ' ' LEU . 8.5 t -140.96 122.19 14.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.532 -0.73 . . . . 0.0 110.466 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.481 ' CE3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -99.39 98.24 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 0.0 109.991 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 46' ' ' LEU . 58.1 t -103.43 127.75 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.564 -0.71 . . . . 0.0 110.382 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 25' ' ' LEU . 40.7 mm -85.78 149.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.544 -0.722 . . . . 0.0 110.132 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -126.0 -76.97 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.557 -0.714 . . . . 0.0 109.633 177.447 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 15.7 p80 -135.79 91.58 2.72 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.478 -0.764 . . . . 0.0 109.338 174.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 23.3 t-160 55.22 22.02 4.42 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.426 -0.797 . . . . 0.0 110.506 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -127.55 149.82 49.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.384 -0.822 . . . . 0.0 110.013 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CE3' ' A' ' 22' ' ' TRP . 48.8 t -111.54 133.75 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.011 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.475 ' HB3' HD11 ' A' ' 32' ' ' LEU . 12.8 m-85 -106.65 136.17 46.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.603 -0.686 . . . . 0.0 111.07 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.631 ' HB2' HG21 ' A' ' 76' ' ' ILE . 19.9 t70 -110.04 84.03 1.86 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -91.79 44.12 1.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.682 -0.636 . . . . 0.0 110.723 -174.403 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.0 m -68.93 -31.24 69.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 0.0 109.957 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -73.56 -29.09 62.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.573 -0.704 . . . . 0.0 110.042 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -85.03 -27.32 26.46 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.514 -0.742 . . . . 0.0 109.879 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB ' ' A' ' 21' ' ' THR . 3.9 mt -58.44 -35.64 72.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.558 -0.713 . . . . 0.0 110.232 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.65 23.42 6.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.562 -0.711 . . . . 0.0 110.53 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -106.71 -56.26 2.22 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.463 -0.773 . . . . 0.0 109.976 177.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CE1' ' OE2' ' A' ' 38' ' ' GLU . 52.9 m80 -113.73 91.05 20.06 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.32 92.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 O-C-N 123.433 1.228 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 -60.67 0.82 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.53 -29.97 0.31 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 45' ' ' VAL . 15.1 pt-20 -164.41 -156.41 0.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.601 -0.94 . . . . 0.0 109.95 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.31 101.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.375 -0.828 . . . . 0.0 110.21 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 43' ' ' GLU . 35.4 m -92.1 19.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.554 -0.716 . . . . 0.0 111.005 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 32' ' ' LEU . 1.4 mp -102.06 71.88 1.29 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.0 110.094 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 53.53 41.95 32.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.542 -0.724 . . . . 0.0 110.695 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 55.56 -86.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.692 -0.63 . . . . 0.0 110.9 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.52 -63.47 0.06 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.081 -1.012 . . . . 0.0 110.21 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.41 -168.64 2.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.173 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.19 -98.53 0.16 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -146.18 30.63 1.61 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.83 -174.83 2.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.561 -0.964 . . . . 0.0 110.205 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.82 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 56' ' ' GLU . 2.4 m 55.2 175.85 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.432 -0.793 . . . . 0.0 110.596 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 55' ' ' THR . 3.1 tt0 -87.14 -41.66 13.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.508 -0.745 . . . . 0.0 110.213 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -82.0 82.2 7.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.507 -0.746 . . . . 0.0 110.113 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 59' ' ' GLU . 37.3 p90 -108.16 -28.58 9.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.559 -0.713 . . . . 0.0 110.305 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 46.9 tt0 -81.46 109.1 15.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.577 -0.702 . . . . 0.0 110.218 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.7 40.87 2.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.54 -0.725 . . . . 0.0 110.245 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.15 -165.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.285 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -43.58 98.59 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.96 110.11 16.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.62 -0.929 . . . . 0.0 110.243 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -83.9 -29.14 27.4 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.614 -0.679 . . . . 0.0 110.201 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.474 ' O ' HG23 ' A' ' 65' ' ' THR . 7.4 t -138.13 127.62 24.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 110.257 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.97 -60.15 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.532 -0.73 . . . . 0.0 110.182 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.41 -159.39 0.58 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.622 -0.674 . . . . 0.0 110.238 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -150.29 -52.56 0.14 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.58 -0.7 . . . . 0.0 110.168 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -117.68 53.32 0.94 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.577 -0.702 . . . . 0.0 110.306 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -28.71 32.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.587 -0.695 . . . . 0.0 110.278 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.4 p -82.27 -21.27 36.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.568 -0.707 . . . . 0.0 110.676 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -87.71 -20.44 26.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.404 -0.81 . . . . 0.0 110.997 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 p -99.47 -24.13 14.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.373 -0.829 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -92.19 44.77 1.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 110.484 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 71' ' ' SER . 51.9 mt -119.25 163.99 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.433 -0.792 . . . . 0.0 110.038 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.5 pt -126.6 -36.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.509 -0.745 . . . . 0.0 111.218 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -172.57 -148.69 6.36 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 35.0 mt-10 -133.29 -174.87 3.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.582 -0.952 . . . . 0.0 110.625 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.698 HD12 HD12 ' A' ' 12' ' ' ILE . 2.0 tp -100.53 150.12 23.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.597 -0.689 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -72.09 129.09 88.28 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.478 -0.764 . . . . 0.0 109.98 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 -21.25 23.5 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.217 1.114 . . . . 0.0 111.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -49.91 -48.22 51.76 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.298 -0.876 . . . . 0.0 111.486 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.648 ' HB3' HD22 ' A' ' 9' ' ' LEU . 6.6 m-20 -94.29 -26.99 16.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.458 -0.776 . . . . 0.0 110.423 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.447 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 5.5 ttp85 -61.74 -157.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.456 -0.778 . . . . 0.0 110.041 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -61.57 88.27 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.701 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 47.55 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.554 -0.717 . . . . 0.0 110.197 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.12 -30.0 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.524 -0.735 . . . . 0.0 110.028 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.64 126.14 31.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.509 -0.745 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.88 95.31 5.25 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.526 -0.734 . . . . 0.0 110.237 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.93 152.27 18.22 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 O-C-N 123.437 1.23 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.8 p -112.32 32.54 5.49 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.507 -0.745 . . . . 0.0 110.231 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' C ' HG23 ' A' ' 93' ' ' THR . 2.2 pp20? -157.46 130.96 7.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.543 -0.723 . . . . 0.0 110.311 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 HG23 ' C ' ' A' ' 92' ' ' GLU . 70.3 p -148.43 -64.03 0.25 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.592 -0.693 . . . . 0.0 110.196 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.239 178.072 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 55.7 -86.74 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.717 -0.614 . . . . 0.0 110.892 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -104.17 159.35 15.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 110.2 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.484 HG11 ' CD ' ' A' ' 78' ' ' GLU . 78.5 t 56.86 166.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.489 0.661 . . . . 0.0 110.735 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 4' ' ' VAL . 8.3 tttt -137.32 -154.38 0.54 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.737 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.11 79.58 1.76 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 110.262 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.6 -165.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.633 -0.667 . . . . 0.0 109.987 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -121.43 172.36 8.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.52 -0.737 . . . . 0.0 110.45 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.001 HD12 HD11 ' A' ' 79' ' ' LEU . 2.6 tp -78.09 -30.7 49.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.651 -0.656 . . . . 0.0 110.188 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.97 -29.13 66.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -80.53 -28.4 37.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.974 HG21 HD11 ' A' ' 24' ' ' ILE . 72.6 mt -90.21 -30.01 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.546 -0.721 . . . . 0.0 109.989 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -90.31 48.91 1.61 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.312 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 15' ' ' HIS . 32.2 pttt -154.4 29.41 0.44 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.725 . . . . 0.0 110.259 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 72.0 m-70 -119.67 30.71 6.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.517 -0.739 . . . . 0.0 110.222 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -94.73 42.89 1.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.176 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -167.86 -41.03 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.575 -0.703 . . . . 0.0 110.176 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -62.87 -159.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.509 -0.745 . . . . 0.0 110.078 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -104.49 -28.68 11.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 0.0 110.316 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.867 ' HA ' HG22 ' A' ' 33' ' ' THR . 15.4 m -83.57 104.71 13.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 110.247 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' THR . 9.6 t -79.97 118.53 21.8 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.572 -0.705 . . . . 0.0 110.457 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 6.7 m95 -95.33 73.5 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.521 -0.737 . . . . 0.0 109.911 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 47' ' ' ARG . 66.2 t -87.35 160.05 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.546 -0.721 . . . . 0.0 110.042 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.974 HD11 HG21 ' A' ' 12' ' ' ILE . 4.3 mt -121.2 144.9 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.548 -0.72 . . . . 0.0 109.897 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -113.43 -73.31 0.67 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.48 -0.763 . . . . 0.0 110.052 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -119.59 81.57 1.74 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.528 -0.732 . . . . 0.0 109.765 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 54.71 22.66 4.24 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.405 -0.809 . . . . 0.0 110.607 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -122.95 140.05 53.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.465 -0.772 . . . . 0.0 109.811 177.412 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.663 HG12 HD11 ' A' ' 76' ' ' ILE . 43.6 t -91.14 126.66 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.516 -0.74 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -107.68 129.78 54.98 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.675 -0.64 . . . . 0.0 111.051 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.3 t0 -102.46 77.73 1.66 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 170.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -84.13 54.62 3.01 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.69 -0.632 . . . . 0.0 110.372 -174.446 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 20' ' ' SER . 76.7 p -63.74 -58.43 6.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.357 -0.839 . . . . 0.0 110.322 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -58.54 -20.12 43.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.586 -0.696 . . . . 0.0 110.847 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.4 t80 -71.8 -28.35 63.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.315 -0.866 . . . . 0.0 110.284 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 36' ' ' LEU . 5.4 mt -68.15 -27.37 66.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.643 -0.66 . . . . 0.0 110.273 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.27 -27.92 14.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.562 -0.711 . . . . 0.0 110.428 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.71 -28.25 33.54 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.507 -0.746 . . . . 0.0 110.357 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 48.3 m80 -122.54 96.71 45.48 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.551 -0.718 . . . . 0.0 110.305 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.97 102.48 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 123.38 1.2 . . . . 0.0 111.009 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.14 -94.29 0.12 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 45' ' ' VAL . . . 98.83 -68.89 0.61 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.25 -28.21 69.0 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.989 . . . . 0.0 110.246 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.58 -54.3 4.35 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.673 . . . . 0.0 110.276 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 42' ' ' GLY . 32.6 m -60.49 167.08 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.538 -0.726 . . . . 0.0 110.232 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 32' ' ' LEU . 85.0 mt 52.2 -89.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.541 -0.724 . . . . 0.0 111.401 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -77.13 75.39 3.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.909 -1.12 . . . . 0.0 110.104 177.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.62 -26.23 66.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.577 -0.702 . . . . 0.0 110.344 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.83 -83.5 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.538 -0.726 . . . . 0.0 110.684 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.9 89.06 3.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.215 -0.928 . . . . 0.0 110.177 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.82 102.98 0.51 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.34 142.69 10.24 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.79 -63.53 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.534 -0.98 . . . . 0.0 110.21 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.87 -71.86 0.18 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.594 -0.691 . . . . 0.0 110.119 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -150.19 55.2 0.93 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.582 -0.699 . . . . 0.0 110.255 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -60.79 -162.38 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.504 -0.748 . . . . 0.0 110.076 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -59.44 102.03 0.13 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.387 -0.82 . . . . 0.0 110.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.81 -52.6 64.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.486 -0.759 . . . . 0.0 110.224 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HG2' ' CE1' ' A' ' 35' ' ' PHE . 9.4 mp0 -145.36 -72.32 0.25 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.476 -0.765 . . . . 0.0 110.2 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.92 170.03 16.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.513 -0.742 . . . . 0.0 110.301 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.37 150.51 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.621 -0.674 . . . . 0.0 110.311 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 63' ' ' HIS . . . 105.37 123.09 5.15 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' GLY . 74.7 m-70 -153.48 -64.5 0.15 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.624 -0.927 . . . . 0.0 110.189 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 m 57.86 -84.64 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 t -59.98 -25.61 65.38 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 0.0 110.497 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.11 87.97 6.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.503 -0.748 . . . . 0.0 110.272 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.6 -38.07 20.36 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.6 -0.687 . . . . 0.0 110.22 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 7.28 24.46 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.578 -0.701 . . . . 0.0 111.031 177.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 53.6 -179.17 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.067 -1.021 . . . . 0.0 110.755 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 ' CE2' ' A' ' 35' ' ' PHE . 11.0 mt -90.13 -27.19 19.78 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.582 -0.699 . . . . 0.0 110.385 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 p -71.94 64.49 0.51 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -168.51 -57.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.518 -0.739 . . . . 0.0 110.182 178.085 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -79.78 -18.39 51.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.535 -0.728 . . . . 0.0 110.709 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -94.69 36.52 1.17 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.471 -0.768 . . . . 0.0 110.41 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.0 mt -112.5 165.71 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.487 -0.758 . . . . 0.0 110.027 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.663 HD11 HG12 ' A' ' 29' ' ' VAL . 31.7 pt -125.74 -35.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.534 -0.729 . . . . 0.0 111.026 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.95 -161.14 25.61 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' CD ' HG11 ' A' ' 4' ' ' VAL . 5.1 mt-10 -107.87 -174.99 2.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.955 . . . . 0.0 110.083 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 9' ' ' LEU . 8.3 tt -113.62 144.06 43.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.46 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.78 112.17 5.25 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.542 -0.724 . . . . 0.0 110.02 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.11 -24.67 20.66 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 O-C-N 123.119 1.063 . . . . 0.0 111.212 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.9 t70 -60.76 -28.34 68.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.56 -0.713 . . . . 0.0 110.215 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.655 ' HB3' HD13 ' A' ' 9' ' ' LEU . 10.2 m-20 -93.96 -22.22 18.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.59 -0.694 . . . . 0.0 110.633 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 79' ' ' LEU . 1.4 mmm180 -53.45 -63.18 1.23 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.35 -0.844 . . . . 0.0 110.479 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -69.43 -66.08 0.63 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.584 -0.697 . . . . 0.0 109.572 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -76.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.554 -0.716 . . . . 0.0 109.409 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 87' ' ' ILE . 19.9 mm -148.97 -77.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.568 -0.708 . . . . 0.0 109.108 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.37 129.15 34.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.521 -0.737 . . . . 0.0 110.175 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -160.72 62.11 1.61 Allowed Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.343 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.94 -175.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.362 0 O-C-N 123.306 1.161 . . . . 0.0 111.032 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -93.46 -158.8 0.64 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.584 -0.698 . . . . 0.0 110.19 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.19 176.52 1.29 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.607 -0.683 . . . . 0.0 110.191 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 m -131.66 -64.59 0.79 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.643 ' OXT' HD23 ' A' ' 94' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.173 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.106 0.479 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -140.82 29.5 1.89 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.572 -0.705 . . . . 0.0 110.353 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.91 138.7 4.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.592 -0.692 . . . . 0.0 110.193 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 78' ' ' GLU . 82.3 t 53.79 102.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.49 -0.756 . . . . 0.0 110.649 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -154.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.784 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 81' ' ' PRO . 7.6 m-85 -128.35 90.11 3.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' HG13 ' A' ' 76' ' ' ILE . 41.2 m-85 -74.78 136.73 41.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.631 -0.668 . . . . 0.0 110.044 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.6 p -79.86 167.49 20.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.69 . . . . 0.0 110.224 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 79' ' ' LEU . 7.8 tp -77.6 -27.99 51.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.599 -0.688 . . . . 0.0 110.283 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 -28.6 56.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.518 -0.739 . . . . 0.0 110.267 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.43 -34.47 41.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.504 -0.748 . . . . 0.0 110.225 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.414 HD13 HD12 ' A' ' 79' ' ' LEU . 73.2 mt -79.38 -29.18 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.49 -0.756 . . . . 0.0 109.951 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -90.85 20.02 5.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.506 -0.746 . . . . 0.0 110.976 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -136.32 49.1 2.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.333 -0.855 . . . . 0.0 110.25 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -121.01 65.46 0.86 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.613 -0.679 . . . . 0.0 110.148 178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 73.23 0.33 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.561 -0.712 . . . . 0.0 110.263 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -114.24 167.14 10.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.49 -0.756 . . . . 0.0 110.197 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 t -112.93 -32.93 6.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.572 -0.705 . . . . 0.0 110.236 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.59 19.22 10.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.593 -0.692 . . . . 0.0 110.737 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -152.78 152.9 32.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -147.16 125.96 12.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 0.0 110.334 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.402 ' CD1' ' OD1' ' A' ' 31' ' ' ASP . 5.4 m95 -94.08 82.07 4.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.609 -0.682 . . . . 0.0 110.113 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 24' ' ' ILE . 62.2 t -79.63 167.78 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.602 -0.686 . . . . 0.0 109.671 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -137.23 137.66 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.776 . . . . 0.0 109.938 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD21 ' CZ ' ' A' ' 58' ' ' PHE . 1.7 mm? -90.45 -60.56 1.89 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.601 -0.687 . . . . 0.0 109.703 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -152.13 -45.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.657 -0.652 . . . . 0.0 109.506 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.553 ' CD2' ' OE2' ' A' ' 78' ' ' GLU . 0.7 OUTLIER -129.65 -41.74 1.33 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.719 -0.613 . . . . 0.0 110.216 176.12 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -71.53 137.87 48.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.53 -0.731 . . . . 0.0 110.561 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.7 132.58 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.73 -0.607 . . . . 0.0 109.506 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB3' HD11 ' A' ' 32' ' ' LEU . 19.4 m-85 -103.2 119.98 39.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.574 -0.704 . . . . 0.0 111.13 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' HB2' HD13 ' A' ' 76' ' ' ILE . 27.7 t0 -101.16 74.64 1.59 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.5 57.59 3.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.597 -0.689 . . . . 0.0 110.181 -175.255 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -68.31 -25.51 65.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.436 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -79.95 -28.16 39.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 70' ' ' LEU . 88.0 t80 -79.94 -34.06 39.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.959 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.67 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.6 tt -58.73 -32.55 69.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.548 -0.72 . . . . 0.0 110.245 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -96.04 25.08 5.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 0.0 110.359 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -118.18 -51.27 2.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.973 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -119.01 150.17 48.22 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.596 -0.69 . . . . 0.0 109.83 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.42 102.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.315 1.166 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.786 ' HA3' HG11 ' A' ' 45' ' ' VAL . . . -158.02 109.74 0.41 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.15 -49.13 74.52 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -171.03 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.435 -1.038 . . . . 0.0 110.789 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.06 72.15 1.66 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.35 -0.844 . . . . 0.0 111.065 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.786 HG11 ' HA3' ' A' ' 41' ' ' GLY . 26.9 m -114.37 -26.77 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.38 -0.825 . . . . 0.0 110.638 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.45 65.53 0.65 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 110.028 177.359 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.3 mmp_? 52.92 33.57 14.83 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.465 -0.772 . . . . 0.0 110.814 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 52.77 -174.05 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.418 -0.802 . . . . 0.0 110.805 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -146.52 28.29 1.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.619 -0.676 . . . . 0.0 110.303 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.84 -50.51 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.235 178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.22 -30.76 73.82 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.15 126.79 36.97 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -86.59 -29.11 22.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.658 -0.907 . . . . 0.0 110.271 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.41 178.76 7.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.57 -0.706 . . . . 0.0 110.222 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 58' ' ' PHE . 8.7 m -86.29 -29.91 22.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.599 -0.688 . . . . 0.0 110.182 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 56.46 -85.97 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.705 -0.622 . . . . 0.0 110.832 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -120.82 -51.0 2.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.014 -1.054 . . . . 0.0 110.24 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.615 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 16.3 t80 52.85 96.02 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.437 -0.789 . . . . 0.0 110.782 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -167.82 -179.84 4.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.561 -0.712 . . . . 0.0 110.198 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -108.17 -164.64 0.97 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.57 -0.706 . . . . 0.0 110.241 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.616 HG22 ' O ' ' A' ' 61' ' ' VAL . 11.0 p -97.26 28.26 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 140.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -162.3 30.08 0.11 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.962 . . . . 0.0 110.338 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -165.59 164.84 19.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 p -101.78 29.39 4.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.238 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.33 -43.29 0.05 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.593 -0.692 . . . . 0.0 110.202 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.58 124.57 30.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.562 -0.711 . . . . 0.0 110.12 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -29.04 8.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.581 -0.7 . . . . 0.0 110.183 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.6 114.12 20.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.551 -0.718 . . . . 0.0 110.224 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 35' ' ' PHE . 1.4 pt? -90.23 16.58 8.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 111.01 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -85.76 55.54 3.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.281 -0.887 . . . . 0.0 110.154 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -143.64 -44.81 0.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.8 p -96.37 26.49 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.565 -0.71 . . . . 0.0 110.318 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -128.4 28.37 5.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.442 -0.786 . . . . 0.0 110.132 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.438 HG12 ' CE2' ' A' ' 30' ' ' TYR . 66.1 mt -114.8 161.01 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.464 -0.773 . . . . 0.0 110.235 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' A' ' 31' ' ' ASP . 35.8 pt -124.17 -33.66 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.584 -0.697 . . . . 0.0 111.094 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.47 -157.99 22.22 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.553 ' OE2' ' CD2' ' A' ' 27' ' ' HIS . 14.6 mt-10 -115.78 177.99 4.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.514 -0.992 . . . . 0.0 110.207 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -93.33 170.32 9.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD23 ' A' ' 79' ' ' LEU . 9.9 t-80 -79.4 127.8 77.43 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.581 -0.699 . . . . 0.0 110.181 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD3' ' CE1' ' A' ' 6' ' ' TYR . 50.6 Cg_exo -53.48 -23.51 25.02 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.109 1.057 . . . . 0.0 111.256 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.12 -60.04 4.19 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.414 -0.804 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.614 ' HB3' HD22 ' A' ' 9' ' ' LEU . 3.9 m-20 -79.89 -35.95 37.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.437 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HB2' HD22 ' A' ' 79' ' ' LEU . 7.5 ttt-85 -61.14 -41.78 97.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.644 -0.66 . . . . 0.0 110.212 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.638 ' HB2' HD12 ' A' ' 87' ' ' ILE . 4.4 m -89.97 -27.19 19.95 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.583 -0.698 . . . . 0.0 110.325 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.6 tttm 53.65 77.33 0.18 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.334 -0.854 . . . . 0.0 110.693 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -146.95 38.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.631 -0.668 . . . . 0.0 110.178 177.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.68 0.11 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.638 -0.664 . . . . 0.0 110.186 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -166.98 62.95 0.69 Allowed Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.573 -0.704 . . . . 0.0 110.215 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.89 172.03 0.2 Allowed 'Trans proline' 0 N--CA 1.491 1.345 0 O-C-N 123.342 1.18 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -140.26 -159.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.549 -0.72 . . . . 0.0 110.204 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -131.97 -170.98 2.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.504 -0.747 . . . . 0.0 110.158 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.5 m -82.2 -36.29 27.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.466 -0.771 . . . . 0.0 110.187 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.203 178.02 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.073 0.463 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.05 140.87 57.75 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.621 -0.674 . . . . 0.0 110.313 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.33 142.94 4.96 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.668 -0.645 . . . . 0.0 110.194 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.3 t 53.66 102.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 110.682 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HE3' ' CE1' ' A' ' 7' ' ' TYR . 16.2 ttpp -83.44 149.86 26.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -79.89 87.75 5.32 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.327 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 5' ' ' LYS . 31.3 m-85 -61.63 -168.32 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.637 . . . . 0.0 110.014 177.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.8 p -118.8 155.9 30.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.525 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 79' ' ' LEU . 7.1 tp -75.56 -25.33 57.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.713 -0.617 . . . . 0.0 110.596 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.27 -23.66 43.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.451 -0.781 . . . . 0.0 110.774 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -86.15 -26.89 24.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.609 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 HD12 ' A' ' 79' ' ' LEU . 46.6 mt -74.62 -54.69 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.453 -0.779 . . . . 0.0 110.226 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -90.01 48.66 1.6 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.503 -0.748 . . . . 0.0 110.653 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -164.95 55.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.536 -0.728 . . . . 0.0 110.234 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -101.72 119.2 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.593 -0.692 . . . . 0.0 110.243 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -107.15 28.76 7.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.606 -0.684 . . . . 0.0 110.337 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -95.37 -27.23 15.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.694 . . . . 0.0 110.351 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.9 t 53.37 27.31 6.16 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.343 -0.848 . . . . 0.0 110.709 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -116.93 -37.37 3.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.531 -0.73 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -111.16 -175.54 2.73 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.171 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -140.24 122.77 16.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.518 -0.739 . . . . 0.0 110.291 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.403 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.3 m95 -100.47 77.68 1.95 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.548 -0.72 . . . . 0.0 110.09 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 46' ' ' LEU . 57.7 t -85.0 151.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.571 -0.705 . . . . 0.0 110.014 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 24' ' ' ILE . 5.3 mp -120.13 137.29 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 177.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm? -109.05 -74.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.509 -0.744 . . . . 0.0 110.034 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.546 ' O ' ' CD2' ' A' ' 26' ' ' HIS . 48.9 p-80 -122.38 82.88 2.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 109.792 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 55.07 22.42 4.48 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.33 -0.856 . . . . 0.0 110.549 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -122.4 134.18 54.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.474 -0.766 . . . . 0.0 109.793 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 76' ' ' ILE . 46.8 t -90.46 128.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.594 -0.691 . . . . 0.0 109.768 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 32' ' ' LEU . 14.7 m-30 -107.2 137.1 45.89 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.518 -0.739 . . . . 0.0 110.673 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.626 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.6 t70 -105.25 77.85 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' CB ' ' A' ' 30' ' ' TYR . 1.1 mp -92.34 45.2 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.642 -0.661 . . . . 0.0 110.147 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -67.84 -26.65 66.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.464 -0.773 . . . . 0.0 110.395 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 11.8 tttt -80.13 -28.9 38.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.006 177.313 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.784 ' CD1' HD11 ' A' ' 70' ' ' LEU . 81.1 t80 -72.62 -29.62 63.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.649 -0.657 . . . . 0.0 109.977 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -65.54 -29.27 69.88 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 177.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.42 -27.75 19.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.594 -0.691 . . . . 0.0 110.325 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.95 -31.13 39.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 110.147 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.435 ' CD2' ' CE1' ' A' ' 35' ' ' PHE . 3.9 m-70 -112.36 94.74 28.17 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.139 177.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.95 91.36 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 O-C-N 123.428 1.225 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -123.29 -42.99 0.37 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.96 -53.93 0.78 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mt-10 -164.01 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.605 -0.938 . . . . 0.0 110.031 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -84.13 92.81 8.0 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.601 -0.687 . . . . 0.0 110.16 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.541 HG12 ' HA3' ' A' ' 41' ' ' GLY . 34.7 m -104.69 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 110.512 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.672 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.61 71.53 1.89 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.461 -0.774 . . . . 0.0 110.147 177.796 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 52.84 98.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.329 -0.857 . . . . 0.0 110.78 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.56 159.84 12.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -139.91 126.97 20.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.552 -0.717 . . . . 0.0 110.251 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.24 29.17 1.18 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.535 -0.728 . . . . 0.0 110.142 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.87 85.95 0.06 OUTLIER Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.44 156.6 7.68 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.74 36.09 2.64 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.59 -0.947 . . . . 0.0 110.278 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.72 148.76 44.94 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.647 -0.658 . . . . 0.0 110.206 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -116.08 98.28 6.54 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.65 -46.39 13.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.595 -0.691 . . . . 0.0 110.201 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -108.1 123.49 48.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.646 -0.659 . . . . 0.0 110.244 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -84.07 -159.14 0.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.182 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -79.93 -28.93 39.66 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.215 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.48 -29.1 70.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.59 -0.694 . . . . 0.0 110.118 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -119.95 144.86 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.87 -34.32 2.41 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.44 -28.84 31.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.633 -0.922 . . . . 0.0 110.182 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t 52.94 46.49 26.66 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.399 -0.813 . . . . 0.0 110.794 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 66' ' ' ASP . 7.3 t -168.76 -39.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.571 -0.705 . . . . 0.0 110.414 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -135.98 157.4 46.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.527 -0.733 . . . . 0.0 110.229 178.039 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.58 -61.06 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.578 -0.701 . . . . 0.0 110.204 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.32 -86.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.638 -0.664 . . . . 0.0 110.852 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 52.86 50.41 18.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.949 -1.095 . . . . 0.0 110.752 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -90.11 54.26 2.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.52 -0.737 . . . . 0.0 110.327 177.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.9 p -99.33 -26.76 14.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.593 -0.692 . . . . 0.0 110.303 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.738 ' HA ' HD11 ' A' ' 75' ' ' ILE . 6.3 ptmt -81.83 -22.81 36.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 110.858 178.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' CD1' ' A' ' 74' ' ' TYR . 8.8 t -93.04 -23.05 18.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.935 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.739 ' CD1' HG23 ' A' ' 73' ' ' THR . 3.1 m-85 -99.48 51.39 0.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.428 -0.795 . . . . 0.0 110.411 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.738 HD11 ' HA ' ' A' ' 72' ' ' LYS . 49.9 mt -116.05 166.85 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.507 -0.745 . . . . 0.0 110.362 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 31' ' ' ASP . 28.8 pt -130.6 -36.96 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.622 -0.674 . . . . 0.0 110.919 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.16 -152.19 9.71 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 4' ' ' VAL . 26.7 mt-10 -125.23 -174.7 3.12 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.504 -0.998 . . . . 0.0 110.426 177.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 HD12 ' A' ' 9' ' ' LEU . 8.6 tt -103.5 158.14 16.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.633 -0.667 . . . . 0.0 110.123 176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.467 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -78.55 114.24 41.51 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.598 -0.688 . . . . 0.0 110.162 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.81 -24.11 22.77 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 O-C-N 123.171 1.09 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.71 -25.57 63.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.548 -0.72 . . . . 0.0 110.638 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 9' ' ' LEU . 72.4 m-20 -108.24 -28.51 9.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 110.266 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -65.52 0.68 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.857 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -71.26 -150.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.6 -0.687 . . . . 0.0 109.324 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.888 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -97.48 -79.59 0.46 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.925 . . . . 0.0 109.529 176.142 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 86' ' ' LYS . 21.7 mm -133.49 70.64 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.475 -0.766 . . . . 0.0 109.86 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.23 63.1 1.31 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.128 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.6 84.99 6.84 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.559 -0.713 . . . . 0.0 110.152 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.9 -63.23 0.26 Allowed 'Trans proline' 0 N--CA 1.492 1.423 0 O-C-N 123.482 1.254 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t 52.6 80.85 0.09 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.395 -0.815 . . . . 0.0 110.821 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.73 -62.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.534 -0.729 . . . . 0.0 110.242 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 p -99.06 -170.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.569 -0.707 . . . . 0.0 110.259 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.28 177.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.115 0.483 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -160.77 139.46 10.15 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.527 -0.733 . . . . 0.0 110.198 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 52.86 -159.57 0.13 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.373 -0.829 . . . . 0.0 110.721 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.52 HG11 ' OE1' ' A' ' 78' ' ' GLU . 70.9 t -83.89 139.89 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.079 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 7' ' ' TYR . 14.9 ptmt -116.53 -161.92 0.82 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.695 -0.628 . . . . 0.0 109.735 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HD3' ' A' ' 81' ' ' PRO . 21.9 m-85 -122.34 86.91 2.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.509 -0.745 . . . . 0.0 110.337 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 5' ' ' LYS . 33.8 m-85 -61.63 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.612 -0.68 . . . . 0.0 110.128 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 12' ' ' ILE . 73.0 p -119.16 159.68 23.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.568 -0.707 . . . . 0.0 110.27 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 79' ' ' LEU . 11.8 tp -80.76 -27.12 36.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.528 -0.732 . . . . 0.0 110.424 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.79 -27.99 61.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.505 -0.747 . . . . 0.0 110.292 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -81.57 -41.48 21.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.564 -0.71 . . . . 0.0 110.397 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 79' ' ' LEU . 59.9 mt -64.96 -26.27 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.559 -0.713 . . . . 0.0 110.132 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.07 23.44 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.461 -0.774 . . . . 0.0 111.011 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -166.81 73.59 0.14 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 110.264 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 28.1 m-70 -110.94 140.28 45.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.516 -0.74 . . . . 0.0 110.256 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -148.38 75.55 1.33 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.556 -0.715 . . . . 0.0 110.092 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -117.43 -144.07 0.38 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.479 -0.763 . . . . 0.0 110.147 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -71.34 63.54 0.37 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.296 -0.878 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 52.41 22.83 2.22 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.244 -0.91 . . . . 0.0 111.484 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t -63.93 178.58 0.62 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.437 -0.789 . . . . 0.0 110.116 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.595 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.5 t -140.82 119.75 12.68 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.519 -0.738 . . . . 0.0 110.299 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.5 m95 -93.65 84.59 4.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.499 -0.75 . . . . 0.0 110.078 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 24' ' ' ILE . 60.9 t -79.52 167.6 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.579 -0.701 . . . . 0.0 109.416 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.47 HD12 ' N ' ' A' ' 24' ' ' ILE . 4.9 mp -132.7 137.25 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.519 -0.738 . . . . 0.0 110.377 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -101.01 -152.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.698 -0.626 . . . . 0.0 109.358 176.423 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.21 -23.47 8.67 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.321 -0.862 . . . . 0.0 110.897 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 22.2 t-160 -168.21 -38.87 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.803 . . . . 0.0 110.796 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -66.14 144.16 56.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.726 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 75' ' ' ILE . 83.4 t -95.02 140.06 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.504 -0.747 . . . . 0.0 109.529 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.566 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -112.42 124.63 52.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.0 111.193 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.5 t70 -104.05 78.89 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -85.09 53.55 2.78 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.687 -0.633 . . . . 0.0 110.493 -175.52 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.9 t -69.79 -24.88 63.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.378 -0.826 . . . . 0.0 110.435 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -81.16 -25.87 36.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.422 -0.798 . . . . 0.0 110.468 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 35.6 t80 -88.73 -32.21 18.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.269 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.641 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.6 tt -60.61 -26.22 66.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.6 -0.688 . . . . 0.0 110.406 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.34 -22.99 14.89 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.449 -0.782 . . . . 0.0 110.701 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -79.71 -28.02 40.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.355 -0.84 . . . . 0.0 110.291 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 51.1 m80 -127.31 82.28 68.49 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.523 -0.736 . . . . 0.0 110.232 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.03 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.36 0 O-C-N 123.369 1.194 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.5 -34.32 2.11 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.84 78.69 0.25 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 55.81 -86.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.699 -0.883 . . . . 0.0 110.903 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 73.42 0.33 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.132 -0.98 . . . . 0.0 110.315 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 HD12 ' A' ' 46' ' ' LEU . 35.1 m -75.43 -20.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.54 -0.725 . . . . 0.0 110.84 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HG23 ' A' ' 45' ' ' VAL . 1.5 mp -95.74 36.0 1.32 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.344 -0.848 . . . . 0.0 110.404 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 51.93 52.82 13.69 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.353 -0.842 . . . . 0.0 110.882 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 53.11 -156.81 0.17 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.411 -0.805 . . . . 0.0 110.707 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.14 171.48 14.02 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.513 -0.742 . . . . 0.0 110.304 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.3 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.398 -0.814 . . . . 0.0 110.752 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.99 -162.91 30.69 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.41 -166.14 26.38 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.18 134.09 37.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.572 -0.958 . . . . 0.0 110.163 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.78 -175.83 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.48 -0.762 . . . . 0.0 110.833 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -143.92 53.6 1.3 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.547 -0.721 . . . . 0.0 110.298 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.62 150.78 27.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.542 -0.724 . . . . 0.0 110.244 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 52.89 58.06 5.72 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.439 -0.788 . . . . 0.0 110.716 178.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -123.31 -165.39 1.32 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.467 -0.771 . . . . 0.0 110.256 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 56.6 -85.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.575 -0.703 . . . . 0.0 110.783 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -110.82 137.37 48.55 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 61' ' ' VAL . 10.1 p -157.83 28.28 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 110.115 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 57.77 0.09 OUTLIER Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.68 ' O ' HG22 ' A' ' 65' ' ' THR . 3.7 t-80 -127.23 30.37 5.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.572 -0.958 . . . . 0.0 110.239 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m 52.78 27.68 5.6 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.426 -0.796 . . . . 0.0 110.785 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 63' ' ' HIS . 7.8 t -168.07 175.59 6.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.605 -0.684 . . . . 0.0 110.27 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -167.37 47.97 0.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.222 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.5 125.16 34.15 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.612 -0.68 . . . . 0.0 110.232 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 52.8 -168.07 0.05 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.368 -0.832 . . . . 0.0 110.801 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -135.12 157.42 46.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -83.78 -25.61 30.31 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.549 -0.719 . . . . 0.0 110.388 177.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -71.62 66.25 0.51 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.507 -0.746 . . . . 0.0 110.182 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -159.61 -49.3 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 110.204 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -96.68 26.31 4.58 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.52 -0.737 . . . . 0.0 110.379 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -133.36 33.62 3.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.417 -0.802 . . . . 0.0 110.02 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 54.2 mt -112.46 158.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.575 -0.703 . . . . 0.0 109.949 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 31' ' ' ASP . 38.7 pt -120.48 -32.52 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.547 -0.72 . . . . 0.0 110.9 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.3 11.66 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.52 ' OE1' HG11 ' A' ' 4' ' ' VAL . 3.2 mt-10 -124.22 178.88 5.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.512 -0.993 . . . . 0.0 110.047 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.944 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -98.54 152.03 20.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.569 -0.707 . . . . 0.0 110.126 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' O ' HD23 ' A' ' 79' ' ' LEU . 17.3 t-80 -60.21 124.06 75.91 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.668 -0.645 . . . . 0.0 110.317 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 50.0 Cg_exo -53.16 -23.73 23.62 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 O-C-N 123.04 1.021 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.31 -39.62 79.85 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.441 -0.787 . . . . 0.0 110.482 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.487 ' O ' HD11 ' A' ' 87' ' ' ILE . 3.6 m-20 -95.33 -25.98 16.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.552 -0.718 . . . . 0.0 110.338 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.685 ' HB2' HD22 ' A' ' 79' ' ' LEU . 5.8 tpm_? -86.82 -67.06 0.84 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.266 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -90.17 -169.68 2.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 37.19 52.37 1.15 Allowed 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 83' ' ' ASP . 50.1 mm -79.69 -29.14 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.972 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.82 159.9 18.23 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.649 -0.657 . . . . 0.0 110.132 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.11 87.76 55.53 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.518 -0.739 . . . . 0.0 110.281 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.17 -175.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 O-C-N 123.509 1.268 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.4 p -83.43 -160.13 0.4 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.607 -0.683 . . . . 0.0 110.181 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' C ' HG23 ' A' ' 93' ' ' THR . 10.3 tt0 -97.04 -62.36 1.27 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.564 -0.71 . . . . 0.0 110.159 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.464 HG23 ' C ' ' A' ' 92' ' ' GLU . 36.4 p -151.77 -71.81 0.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 110.264 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.239 178.014 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.114 0.483 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -87.28 174.86 8.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.514 -0.741 . . . . 0.0 110.217 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -95.18 158.23 15.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.58 -0.7 . . . . 0.0 110.176 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.854 HG11 ' CD ' ' A' ' 78' ' ' GLU . 89.7 t -82.27 144.81 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.554 -0.716 . . . . 0.0 110.126 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -114.24 145.59 41.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.686 -0.634 . . . . 0.0 109.656 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -79.84 85.78 5.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.497 -0.752 . . . . 0.0 110.211 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HD2' HG21 ' A' ' 29' ' ' VAL . 29.6 m-85 -61.92 -164.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.623 -0.673 . . . . 0.0 110.044 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -135.42 -177.03 4.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.491 -0.755 . . . . 0.0 110.339 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 83' ' ' ASP . 2.3 mp -84.94 -49.14 8.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.621 -0.674 . . . . 0.0 110.282 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -26.96 66.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.627 -0.67 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' ' CE1' ' A' ' 15' ' ' HIS . 3.4 tp10 -77.83 -43.79 29.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.513 -0.742 . . . . 0.0 110.407 178.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.796 HG21 HD11 ' A' ' 24' ' ' ILE . 79.4 mt -79.25 -23.05 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.542 -0.724 . . . . 0.0 110.413 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.53 19.6 5.19 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.345 -0.847 . . . . 0.0 111.015 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -122.94 28.42 7.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.304 -0.873 . . . . 0.0 110.158 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' CE1' ' O ' ' A' ' 11' ' ' GLU . 12.0 m80 -110.64 97.79 7.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.558 -0.714 . . . . 0.0 110.175 177.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -74.23 -29.33 61.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.556 -0.715 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -167.85 -64.35 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.64 -0.662 . . . . 0.0 110.179 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p 49.97 26.46 2.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.521 -0.737 . . . . 0.0 111.118 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.41 -67.1 0.16 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.54 -0.725 . . . . 0.0 110.711 178.026 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 p -60.54 -171.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.371 -0.83 . . . . 0.0 110.328 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -144.95 124.29 13.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.64 -0.663 . . . . 0.0 110.379 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -98.86 75.91 2.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 110.225 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.57 133.35 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.471 -0.768 . . . . 0.0 109.943 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.796 HD11 HG21 ' A' ' 12' ' ' ILE . 7.7 mt -104.41 137.9 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.532 -0.73 . . . . 0.0 109.837 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -91.15 -77.37 0.42 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.624 -0.673 . . . . 0.0 109.894 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -128.84 -41.46 1.47 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.768 . . . . 0.0 110.1 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 23.4 t-160 -150.22 22.17 0.85 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 176.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -126.37 144.21 50.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.811 . . . . 0.0 110.304 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG21 ' HD2' ' A' ' 7' ' ' TYR . 49.7 t -100.36 119.59 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.61 -0.681 . . . . 0.0 109.644 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.785 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -100.51 130.39 46.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 110.982 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 25.5 t70 -102.82 78.98 1.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 170.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 46' ' ' LEU . 1.2 mp -90.58 46.08 1.31 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.642 -0.662 . . . . 0.0 110.488 -174.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -69.16 -24.54 64.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.486 -0.759 . . . . 0.0 110.406 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -81.92 -27.86 33.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.124 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD1' HD11 ' A' ' 46' ' ' LEU . 26.8 t80 -76.38 -29.78 57.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.49 -0.756 . . . . 0.0 109.887 177.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.782 HD21 ' HG2' ' A' ' 43' ' ' GLU . 2.9 tt -61.26 -30.74 70.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.594 -0.691 . . . . 0.0 110.168 178.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -111.6 25.29 11.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.564 -0.71 . . . . 0.0 110.613 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.29 -40.96 5.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.539 -0.726 . . . . 0.0 110.11 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -120.67 81.82 33.25 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.572 -0.705 . . . . 0.0 110.169 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.74 92.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.376 1.198 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.14 40.91 0.05 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.01 125.86 2.52 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HG2' HD21 ' A' ' 36' ' ' LEU . 6.1 mt-10 -95.03 -29.09 14.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.99 . . . . 0.0 110.275 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -100.2 54.08 0.9 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.58 -0.7 . . . . 0.0 110.323 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.62 24.59 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.506 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.954 HD12 HD22 ' A' ' 32' ' ' LEU . 3.9 mm? -86.05 -29.36 23.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.439 -0.788 . . . . 0.0 109.883 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.552 HH11 HD13 ' A' ' 25' ' ' LEU . 23.1 ttt85 -152.68 -64.54 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.542 -0.724 . . . . 0.0 110.211 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -168.11 169.51 11.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.514 -0.741 . . . . 0.0 110.232 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -163.23 52.99 0.17 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 110.224 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -166.79 -64.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.33 138.39 4.97 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.43 155.98 7.48 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -168.27 -164.71 0.55 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.609 -0.936 . . . . 0.0 110.238 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.01 58.33 5.43 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.426 -0.796 . . . . 0.0 110.793 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p 44.32 95.3 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.788 -0.57 . . . . 0.0 111.76 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.93 -57.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.517 -0.739 . . . . 0.0 110.199 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -108.76 -27.92 9.5 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.529 -0.732 . . . . 0.0 110.313 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 53.16 -177.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.37 -0.831 . . . . 0.0 110.674 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.03 -164.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.433 -0.792 . . . . 0.0 110.357 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 50.25 85.62 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.461 -0.775 . . . . 0.0 110.861 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.41 138.13 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.63 -0.669 . . . . 0.0 110.213 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.52 2.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -113.53 148.51 35.93 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.583 -0.951 . . . . 0.0 110.254 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.6 44.14 0.93 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.627 -0.671 . . . . 0.0 110.215 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 m -81.23 -29.68 34.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.168 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.16 122.57 32.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.214 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.8 81.35 7.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.586 -0.697 . . . . 0.0 110.145 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -153.39 131.46 11.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.546 -0.721 . . . . 0.0 110.187 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -100.4 123.52 44.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.521 -0.737 . . . . 0.0 110.241 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD21 ' HD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -91.14 49.55 1.64 Allowed 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.481 176.081 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.71 ' O ' HD11 ' A' ' 75' ' ' ILE . 5.2 p -96.42 27.74 3.64 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.515 -0.741 . . . . 0.0 110.264 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -120.77 -42.86 2.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 110.077 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.0 p -97.41 28.03 3.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.509 -0.745 . . . . 0.0 110.204 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.22 28.4 2.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.564 -0.71 . . . . 0.0 110.099 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.71 HD11 ' O ' ' A' ' 71' ' ' SER . 76.1 mt -116.65 158.58 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.49 -0.756 . . . . 0.0 110.408 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 31' ' ' ASP . 4.0 pt -117.14 -24.83 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.681 -0.637 . . . . 0.0 110.829 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.641 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.0 -152.73 12.53 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.854 ' CD ' HG11 ' A' ' 4' ' ' VAL . 17.5 mt-10 -133.19 -171.01 2.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.967 . . . . 0.0 110.206 177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 9' ' ' LEU . 63.8 tp -106.55 159.11 16.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.703 . . . . 0.0 110.038 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.44 119.25 76.52 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.537 -0.727 . . . . 0.0 110.032 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.97 -23.76 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 O-C-N 123.076 1.04 . . . . 0.0 111.184 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HA ' HD13 ' A' ' 87' ' ' ILE . 2.5 t70 -57.71 -53.35 59.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.396 -0.815 . . . . 0.0 110.653 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB3' HD13 ' A' ' 9' ' ' LEU . 48.0 m-20 -80.64 -39.27 27.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD23 ' A' ' 79' ' ' LEU . 5.1 ttt-85 -61.37 -44.61 96.87 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.589 -0.694 . . . . 0.0 110.248 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -89.43 -156.35 0.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.537 -0.727 . . . . 0.0 110.221 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.94 76.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.557 -0.714 . . . . 0.0 110.104 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp -90.11 50.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.576 -0.703 . . . . 0.0 109.934 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.27 56.76 3.9 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.551 -0.718 . . . . 0.0 110.088 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -139.47 174.39 4.15 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.435 -0.791 . . . . 0.0 110.151 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.58 -33.04 56.58 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 O-C-N 123.408 1.215 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m 52.78 51.68 15.49 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.341 -0.85 . . . . 0.0 110.741 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.14 177.17 4.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 110.28 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -79.96 -23.53 41.59 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.569 -0.707 . . . . 0.0 110.585 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.184 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.102 0.477 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.42 -164.29 0.58 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.565 -0.71 . . . . 0.0 110.26 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.475 ' C ' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER -93.28 45.35 1.17 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.625 -0.672 . . . . 0.0 110.242 178.12 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 78' ' ' GLU . 79.6 t -150.03 123.6 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.611 -0.681 . . . . 0.0 110.023 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -116.3 155.02 29.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.616 -0.678 . . . . 0.0 109.845 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.96 93.26 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.526 -0.734 . . . . 0.0 110.433 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.767 ' CE2' HD12 ' A' ' 76' ' ' ILE . 10.4 m-85 -69.96 -168.9 0.23 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.701 -0.624 . . . . 0.0 109.906 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 12' ' ' ILE . 77.7 p -126.23 154.1 43.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.718 . . . . 0.0 110.347 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.016 HD12 HD11 ' A' ' 79' ' ' LEU . 3.2 tp -67.53 -27.32 66.87 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -73.71 -26.8 60.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.516 -0.74 . . . . 0.0 110.567 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.78 -27.63 33.65 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.484 -0.76 . . . . 0.0 110.477 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.951 HD13 HD12 ' A' ' 79' ' ' LEU . 7.8 mt -88.47 -25.61 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.598 -0.688 . . . . 0.0 110.342 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.29 48.32 1.54 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -169.42 52.34 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.51 -0.743 . . . . 0.0 110.31 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 31.7 m-70 -122.43 102.44 8.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.616 -0.678 . . . . 0.0 110.281 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -168.85 53.73 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.504 -0.747 . . . . 0.0 110.19 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -136.56 -44.3 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.555 -0.715 . . . . 0.0 110.321 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -96.94 30.85 2.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.342 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt 54.08 22.2 3.37 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 111.113 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -89.57 170.4 10.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.442 -0.787 . . . . 0.0 110.104 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -144.28 117.96 9.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.539 -0.725 . . . . 0.0 110.408 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 4.7 m0 -92.03 81.4 5.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.564 -0.71 . . . . 0.0 110.103 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 24' ' ' ILE . 91.6 t -79.7 168.65 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.567 -0.708 . . . . 0.0 109.454 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 4.8 mp -136.8 136.22 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.392 -0.817 . . . . 0.0 110.562 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD22 ' C ' ' A' ' 24' ' ' ILE . 4.6 mm? -110.43 77.56 1.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 11.4 m80 55.84 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.529 -0.732 . . . . 0.0 110.098 -177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 67.88 -62.59 0.34 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.659 -0.65 . . . . 0.0 110.938 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' ILE . 27.3 mttp -57.14 136.86 56.41 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.326 -0.859 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 75' ' ' ILE . 64.9 t -105.81 148.34 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.486 -0.759 . . . . 0.0 109.832 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.4 m-85 -120.75 136.79 54.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.639 -0.663 . . . . 0.0 111.448 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 27.0 t70 -106.33 91.01 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD22 HD13 ' A' ' 46' ' ' LEU . 7.9 mt -87.04 14.13 8.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.604 -0.685 . . . . 0.0 111.472 -173.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 31' ' ' ASP . 7.4 t -60.72 -27.16 67.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.169 -0.957 . . . . 0.0 109.988 175.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' CD ' ' CD2' ' A' ' 74' ' ' TYR . 14.0 ptpt -84.17 -23.98 30.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 110.138 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HE1' HG21 ' A' ' 45' ' ' VAL . 22.4 t80 -81.76 -33.49 30.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.396 -0.815 . . . . 0.0 109.902 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.57 -27.36 64.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.326 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.26 -19.96 19.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.585 -0.697 . . . . 0.0 110.665 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -79.73 -48.5 13.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.381 -0.824 . . . . 0.0 110.339 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 29.1 m80 -115.61 84.75 12.8 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.537 -0.727 . . . . 0.0 110.197 178.14 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 91.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.392 1.207 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.56 -64.61 0.35 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.88 32.5 84.09 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.27 -74.06 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.607 -0.937 . . . . 0.0 110.343 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -100.11 88.33 3.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 0.0 110.519 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 46' ' ' LEU . 9.7 p -167.82 132.44 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.555 -0.715 . . . . 0.0 110.05 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.919 HD13 HD22 ' A' ' 32' ' ' LEU . 7.6 mt 45.67 -162.83 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.592 -0.692 . . . . 0.0 111.504 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HB3' HG13 ' A' ' 23' ' ' VAL . 6.6 tpt180 -80.79 58.75 3.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 110.284 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.81 172.94 12.3 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.411 -0.806 . . . . 0.0 110.118 177.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.94 107.19 14.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.568 -0.708 . . . . 0.0 110.212 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.98 -166.78 1.5 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.533 -0.729 . . . . 0.0 110.141 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 168.78 50.02 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.62 169.72 46.18 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -161.62 79.12 0.56 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.639 -0.918 . . . . 0.0 110.21 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.38 32.19 0.06 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.528 -0.732 . . . . 0.0 110.178 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p 45.28 -91.19 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.954 -0.467 . . . . 0.0 111.759 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 55.36 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.964 -1.085 . . . . 0.0 110.636 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.21 96.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.358 -0.839 . . . . 0.0 110.887 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.59 -71.21 0.75 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.58 -0.7 . . . . 0.0 110.314 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -107.31 -22.05 12.73 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.652 -0.655 . . . . 0.0 110.73 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.8 -27.8 60.43 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.247 -0.908 . . . . 0.0 110.511 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.54 ' O ' HG13 ' A' ' 61' ' ' VAL . 8.6 p -65.06 121.63 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.588 -0.695 . . . . 0.0 110.035 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.77 169.05 13.1 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.86 -163.71 0.57 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.555 -0.968 . . . . 0.0 110.389 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t 53.28 -159.53 0.14 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.423 -0.798 . . . . 0.0 110.771 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.6 p -123.56 -165.0 1.28 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.586 -0.696 . . . . 0.0 110.274 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -118.5 141.99 48.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.567 -0.708 . . . . 0.0 110.351 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -38.61 14.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.594 -0.691 . . . . 0.0 110.175 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -161.07 -64.9 0.06 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -167.57 120.21 0.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.629 -0.669 . . . . 0.0 110.162 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.1 tt -81.97 -26.22 34.12 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.302 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 p -71.73 64.93 0.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 110.155 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -54.98 0.09 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.542 -0.724 . . . . 0.0 109.875 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.6 p -79.55 -14.28 58.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.538 -0.726 . . . . 0.0 110.799 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' HD21 ' A' ' 70' ' ' LEU . 12.1 m-85 -93.6 22.88 5.03 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 29' ' ' VAL . 51.7 mt -107.65 153.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.298 -0.877 . . . . 0.0 109.798 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 7' ' ' TYR . 36.3 pt -108.44 -25.99 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.538 -0.726 . . . . 0.0 110.779 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.18 -159.56 32.71 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.542 ' HG3' HG13 ' A' ' 4' ' ' VAL . 6.6 mt-10 -111.45 -179.04 3.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.933 . . . . 0.0 110.132 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.016 HD11 HD12 ' A' ' 9' ' ' LEU . 9.1 tt -106.65 152.31 23.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.553 -0.717 . . . . 0.0 110.149 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.65 111.57 4.29 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.54 -0.725 . . . . 0.0 110.104 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.3 Cg_exo -53.25 -23.78 24.44 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 O-C-N 123.131 1.069 . . . . 0.0 111.168 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' HA ' HD11 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.5 -26.53 63.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.413 -0.805 . . . . 0.0 110.626 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.762 ' HB3' HD22 ' A' ' 9' ' ' LEU . 5.4 m-20 -112.1 -25.09 9.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.457 -0.777 . . . . 0.0 110.554 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.487 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.1 tpm_? -58.62 -46.1 87.78 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.351 -0.843 . . . . 0.0 110.3 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -90.1 -155.06 0.35 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.566 -0.709 . . . . 0.0 110.044 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -118.15 63.13 0.76 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.45 -0.781 . . . . 0.0 109.831 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.658 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.9 pp -145.86 29.7 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.592 -0.693 . . . . 0.0 110.318 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.89 64.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.546 -0.721 . . . . 0.0 110.147 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.62 175.8 2.71 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.521 -0.737 . . . . 0.0 110.117 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' A' ' 94' ' ' LEU . 50.1 Cg_exo -52.73 -29.18 41.0 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 O-C-N 123.441 1.232 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 m 52.81 -159.31 0.13 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.362 -0.836 . . . . 0.0 110.855 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 56.6 -85.88 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.694 -0.629 . . . . 0.0 110.79 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -80.16 -28.97 38.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.166 -0.959 . . . . 0.0 110.18 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.5 tt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.224 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.081 0.467 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -109.31 31.83 5.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.567 -0.708 . . . . 0.0 110.362 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -141.06 -177.59 5.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.603 -0.686 . . . . 0.0 110.147 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.75 128.68 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.494 -0.754 . . . . 0.0 110.187 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 11.2 ptpt -112.65 -157.45 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.729 -0.607 . . . . 0.0 109.435 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -120.94 91.39 3.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 0.0 110.344 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.701 ' CB ' HD11 ' A' ' 12' ' ' ILE . 27.7 m-85 -61.16 171.7 1.25 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 109.957 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.3 p -110.03 146.51 35.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.54 -0.725 . . . . 0.0 110.009 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 79' ' ' LEU . 6.2 tp -55.02 -22.92 17.23 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.466 -0.772 . . . . 0.0 110.872 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -85.46 -27.29 25.78 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.415 -0.803 . . . . 0.0 110.445 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.4 -31.1 26.86 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.475 -0.766 . . . . 0.0 110.223 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 7' ' ' TYR . 50.8 mm -77.11 -28.73 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 109.896 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -90.28 48.76 1.6 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -163.59 63.95 0.17 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.478 -0.764 . . . . 0.0 110.452 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 22.8 m-70 -145.26 152.84 40.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.54 -0.725 . . . . 0.0 110.252 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.64 143.84 53.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.55 -27.34 8.62 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.421 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -70.49 -39.45 74.18 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.514 -0.741 . . . . 0.0 110.259 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -84.82 -50.27 7.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.552 -0.717 . . . . 0.0 110.25 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 33' ' ' THR . 5.7 m -121.48 -170.52 2.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.628 -0.67 . . . . 0.0 110.151 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.804 ' HB ' HD11 ' A' ' 36' ' ' LEU . 7.7 t -154.44 121.22 5.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.493 -0.755 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.646 ' HZ3' HD13 ' A' ' 12' ' ' ILE . 7.5 m0 -101.52 73.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.584 -0.698 . . . . 0.0 110.075 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CB ' HD22 ' A' ' 46' ' ' LEU . 69.5 t -79.73 138.14 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.604 -0.685 . . . . 0.0 109.834 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -98.98 137.55 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.58 -0.7 . . . . 0.0 109.88 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 58' ' ' PHE . 2.1 tp -145.95 123.84 12.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.63 -0.669 . . . . 0.0 109.774 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 53.61 57.62 5.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 14.2 t-160 55.42 21.24 4.14 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.403 -0.81 . . . . 0.0 111.098 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -122.01 149.98 42.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.071 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 12' ' ' ILE . 38.7 t -104.09 126.58 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.499 -0.751 . . . . 0.0 109.654 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -102.88 131.54 49.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.546 -0.721 . . . . 0.0 111.051 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 28.0 t70 -105.28 78.4 1.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 170.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 46' ' ' LEU . 1.1 mp -88.58 49.43 1.79 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.57 -0.706 . . . . 0.0 110.499 -175.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 20' ' ' SER . 3.8 m -68.26 -42.11 80.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.382 -0.824 . . . . 0.0 109.949 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.83 -28.66 69.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.574 -0.704 . . . . 0.0 110.015 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 53.8 t80 -81.02 -30.22 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.497 -0.752 . . . . 0.0 109.864 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' HB ' ' A' ' 21' ' ' THR . 6.2 mt -61.01 -38.57 86.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.667 -0.646 . . . . 0.0 110.093 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.17 -23.99 28.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.669 -0.644 . . . . 0.0 110.552 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.62 -28.96 40.94 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.463 -0.773 . . . . 0.0 110.188 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CD2' HG22 ' A' ' 61' ' ' VAL . 7.8 m80 -122.41 86.68 48.45 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.061 177.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.53 92.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 O-C-N 123.38 1.2 . . . . 0.0 111.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.78 -45.81 0.69 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -116.37 1.34 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.33 -155.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.496 -1.002 . . . . 0.0 109.912 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -59.97 103.61 0.23 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.404 -0.81 . . . . 0.0 110.168 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.835 HG23 HD12 ' A' ' 46' ' ' LEU . 35.3 m -64.81 -126.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.668 -0.645 . . . . 0.0 110.338 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD12 HG23 ' A' ' 45' ' ' VAL . 3.8 mp 55.93 102.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.444 -1.41 . . . . 0.0 110.771 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 54.35 21.7 3.34 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.603 -0.686 . . . . 0.0 111.325 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 49.26 26.65 1.6 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.21 -0.931 . . . . 0.0 111.203 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 53.07 50.78 17.1 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.426 -0.796 . . . . 0.0 110.813 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.65 -159.46 0.59 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.646 -0.659 . . . . 0.0 110.155 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.84 107.55 0.33 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.24 87.22 0.07 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 53.13 98.99 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -1.027 . . . . 0.0 110.845 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.3 124.72 28.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.508 -0.745 . . . . 0.0 110.168 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -154.89 -158.25 0.83 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.556 -0.715 . . . . 0.0 109.746 178.211 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 55' ' ' THR . 7.8 mt-10 -83.22 -23.55 32.75 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.486 -0.759 . . . . 0.0 110.56 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -61.51 -20.23 62.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.427 -0.796 . . . . 0.0 110.857 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.94 -157.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.281 -0.887 . . . . 0.0 110.531 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 53.19 98.49 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.36 -0.838 . . . . 0.0 110.667 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -77.7 -28.98 51.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.581 -0.7 . . . . 0.0 110.184 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 39' ' ' HIS . 8.6 p -139.55 143.94 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.629 -0.669 . . . . 0.0 110.157 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.92 -60.56 0.02 OUTLIER Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -147.32 178.66 8.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.585 -0.95 . . . . 0.0 110.174 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -113.0 36.55 3.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -121.6 168.37 11.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.571 -0.706 . . . . 0.0 110.249 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.05 30.28 7.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.517 -0.74 . . . . 0.0 110.21 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.82 -71.12 0.52 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.604 -0.685 . . . . 0.0 110.286 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -144.49 -173.6 4.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 110.265 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -82.27 174.91 10.71 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.593 -0.692 . . . . 0.0 110.219 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 6.2 tp -89.99 -28.56 19.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.542 -0.724 . . . . 0.0 110.235 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -74.44 73.26 1.89 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.525 -0.735 . . . . 0.0 110.105 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -169.1 -40.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.583 -0.698 . . . . 0.0 110.279 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.4 p -97.29 -23.03 16.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.544 -0.723 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 79.1 m-85 -90.3 48.9 1.61 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.362 -0.836 . . . . 0.0 110.341 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 76' ' ' ILE . 72.1 mt -117.06 166.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.453 -0.78 . . . . 0.0 110.101 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.2 pt -127.65 -36.3 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -175.9 -154.58 11.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 29.3 mt-10 -126.17 -179.5 4.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.596 -0.944 . . . . 0.0 110.329 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.914 HD11 HD12 ' A' ' 9' ' ' LEU . 7.9 tt -104.74 167.17 9.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.209 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.725 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -80.2 116.27 60.34 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 121.582 -0.699 . . . . 0.0 110.11 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.9 -24.12 23.25 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.137 1.072 . . . . 0.0 111.242 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.21 -49.62 77.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.754 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.7 m-20 -80.4 -34.71 36.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.543 -0.723 . . . . 0.0 110.307 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.628 ' HB2' HD22 ' A' ' 79' ' ' LEU . 4.4 ttt-85 -60.22 -60.84 3.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.517 -0.74 . . . . 0.0 110.069 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -63.67 -151.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.713 -0.617 . . . . 0.0 109.661 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.727 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -120.17 -101.19 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.228 176.426 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 86' ' ' LYS . 46.9 mm -140.35 49.6 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.74 -1.225 . . . . 0.0 109.913 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.4 35.52 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.556 -0.715 . . . . 0.0 110.181 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -168.74 152.69 5.61 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.54 -0.725 . . . . 0.0 110.223 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.74 150.69 12.01 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 O-C-N 123.484 1.255 . . . . 0.0 111.185 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.6 m -160.44 164.28 32.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.585 -0.697 . . . . 0.0 110.206 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -130.05 173.09 11.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.477 -0.764 . . . . 0.0 110.235 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 93' ' ' THR . 25.9 m -157.83 45.65 0.35 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.585 -0.697 . . . . 0.0 110.164 178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 94' ' ' LEU . 4.4 pp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.418 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.182 0.515 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 52.91 98.1 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.431 -0.793 . . . . 0.0 110.769 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.56 -174.23 4.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 77' ' ' GLY . 82.3 t -133.61 144.05 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.531 -0.73 . . . . 0.0 110.136 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -117.99 144.89 45.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.655 . . . . 0.0 109.746 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 82.13 5.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.44 -167.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.135 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.9 p -119.36 155.52 31.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.508 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD12 HD11 ' A' ' 79' ' ' LEU . 11.2 tp -70.19 -28.9 65.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.658 -0.651 . . . . 0.0 110.185 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.58 -28.19 64.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 110.16 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.1 -41.89 73.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.582 -0.699 . . . . 0.0 110.173 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 79' ' ' LEU . 12.1 mt -65.27 -41.4 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.551 -0.718 . . . . 0.0 109.936 177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.28 49.06 1.64 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.575 -0.703 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -167.37 49.01 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.571 -0.705 . . . . 0.0 110.248 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -124.6 28.71 6.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.567 -0.708 . . . . 0.0 110.269 177.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -27.97 69.21 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.623 -0.673 . . . . 0.0 110.353 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.72 -29.11 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.243 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -81.52 145.2 30.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.478 -0.764 . . . . 0.0 110.231 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -93.47 19.24 8.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.614 -0.679 . . . . 0.0 110.752 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.67 118.98 32.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.43 -0.794 . . . . 0.0 110.189 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -73.32 116.06 13.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.532 -0.73 . . . . 0.0 110.397 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.2 m95 -103.4 74.33 1.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.521 -0.737 . . . . 0.0 110.13 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.28 119.67 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.589 -0.694 . . . . 0.0 110.027 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 12' ' ' ILE . 46.8 mm -79.57 137.5 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.631 -0.668 . . . . 0.0 110.118 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -150.49 122.33 8.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.599 -0.688 . . . . 0.0 109.881 177.5 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 52.97 57.72 6.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.42 -0.8 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 53.65 23.65 3.75 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.396 -0.815 . . . . 0.0 110.893 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 75' ' ' ILE . 3.3 ttpt -121.62 149.25 43.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.504 -0.747 . . . . 0.0 110.256 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.8 t -103.3 124.37 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.566 -0.709 . . . . 0.0 109.752 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 32' ' ' LEU . 61.6 m-85 -105.16 130.25 53.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.558 -0.714 . . . . 0.0 111.066 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.7 t0 -105.89 79.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.933 HD22 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -92.27 44.37 1.16 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.581 -0.7 . . . . 0.0 110.35 -174.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -69.79 -23.94 63.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.508 -0.745 . . . . 0.0 110.34 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -79.5 -28.36 41.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.438 -0.788 . . . . 0.0 110.166 177.487 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 39' ' ' HIS . 21.9 t80 -73.23 -29.22 62.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.521 -0.737 . . . . 0.0 110.036 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD11 ' OE1' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -66.31 -29.71 69.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.597 -0.689 . . . . 0.0 110.045 177.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -101.11 -20.15 15.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 110.742 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -79.6 -24.22 42.15 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.362 -0.836 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 74.3 m80 -125.11 73.31 65.98 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.409 -0.807 . . . . 0.0 110.35 177.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.24 -23.96 24.96 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 O-C-N 123.281 1.148 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 61' ' ' VAL . . . -71.47 69.03 0.92 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.89 -31.23 2.74 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 56.56 -85.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.654 -0.91 . . . . 0.0 110.642 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 36' ' ' LEU . 6.1 mm-40 -82.68 57.83 3.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.091 -1.006 . . . . 0.0 110.061 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.01 -40.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.549 -0.719 . . . . 0.0 110.073 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.933 HD13 HD22 ' A' ' 32' ' ' LEU . 16.2 mt -75.98 -53.71 7.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.412 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -107.01 70.38 0.79 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.485 -0.759 . . . . 0.0 110.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.59 -29.07 69.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.436 -0.79 . . . . 0.0 110.043 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 53.26 44.78 29.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.488 -0.757 . . . . 0.0 110.766 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.37 -29.34 14.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.652 -0.655 . . . . 0.0 110.217 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 48.84 0.07 OUTLIER Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.34 -126.33 3.19 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.49 -165.18 0.65 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.542 -0.975 . . . . 0.0 110.249 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.52 145.97 29.48 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.631 -0.668 . . . . 0.0 110.233 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 56' ' ' GLU . 4.6 m -153.61 173.61 15.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.489 -0.757 . . . . 0.0 110.218 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' H ' HG22 ' A' ' 55' ' ' THR . 8.1 tp10 -85.94 -37.45 19.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.67 -0.644 . . . . 0.0 110.145 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -123.52 90.97 3.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.58 -0.7 . . . . 0.0 110.317 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 58' ' ' PHE . 35.4 p90 -135.82 50.69 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.54 -0.725 . . . . 0.0 110.266 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 123.71 49.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.604 -0.685 . . . . 0.0 110.249 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -119.12 67.68 0.79 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.715 . . . . 0.0 110.347 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 41' ' ' GLY . 8.5 p -115.29 148.34 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 110.136 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.22 37.64 3.4 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -134.45 127.09 30.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.57 -0.959 . . . . 0.0 110.222 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 52.85 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.401 -0.812 . . . . 0.0 110.761 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 p -82.08 106.19 13.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.186 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -127.34 174.71 8.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.541 -0.725 . . . . 0.0 110.21 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.48 -64.89 1.08 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.464 -0.772 . . . . 0.0 110.178 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -70.1 152.0 44.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.692 . . . . 0.0 110.195 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -99.06 -166.09 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.569 -0.707 . . . . 0.0 110.232 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -90.73 20.14 4.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.544 -0.722 . . . . 0.0 110.942 177.844 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.0 p -77.21 73.9 3.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 110.221 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 75' ' ' ILE . 8.4 tmtt? -168.51 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 110.253 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -99.99 -27.28 13.65 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.557 -0.715 . . . . 0.0 110.481 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 70' ' ' LEU . 15.6 m-85 -90.7 48.8 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.298 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.9 mt -113.65 166.9 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.49 -0.756 . . . . 0.0 109.92 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.2 pt -125.81 -34.45 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.478 -0.764 . . . . 0.0 111.062 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.45 -152.94 11.51 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.468 ' HG3' HG11 ' A' ' 4' ' ' VAL . 1.2 mt-10 -119.52 -170.88 2.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 110.129 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.943 HD11 HD12 ' A' ' 9' ' ' LEU . 5.2 tt -109.44 148.6 30.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.718 . . . . 0.0 110.161 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.488 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.0 t-80 -60.95 117.42 25.48 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.59 -0.694 . . . . 0.0 109.991 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.7 -23.95 21.68 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 O-C-N 123.092 1.048 . . . . 0.0 111.246 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.94 -43.94 73.83 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.397 -0.814 . . . . 0.0 110.741 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.522 ' HB3' HD22 ' A' ' 9' ' ' LEU . 4.0 m-20 -79.82 -28.97 40.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.561 -0.712 . . . . 0.0 109.818 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' NH1' HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -62.3 -157.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.582 -0.699 . . . . 0.0 109.879 176.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -90.2 100.21 13.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.492 -0.755 . . . . 0.0 110.42 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' CD ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -139.97 22.04 2.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.6 176.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.664 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.2 OUTLIER -147.68 43.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.381 -0.825 . . . . 0.0 110.236 177.687 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.94 21.7 4.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.585 -0.697 . . . . 0.0 111.01 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm 52.95 62.73 9.55 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.107 -0.995 . . . . 0.0 110.716 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.06 -60.43 0.71 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 O-C-N 123.302 1.159 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -147.55 -159.54 1.04 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.646 -0.659 . . . . 0.0 110.195 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.466 ' C ' HG23 ' A' ' 93' ' ' THR . 3.5 tt0 -137.33 104.43 5.38 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.588 -0.695 . . . . 0.0 110.245 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.466 HG23 ' C ' ' A' ' 92' ' ' GLU . 34.7 p -152.13 149.34 28.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.599 -0.688 . . . . 0.0 110.14 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 94' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.129 0.49 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 mptt 52.78 -177.1 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.382 -0.824 . . . . 0.0 110.782 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -85.93 82.11 8.26 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.581 -0.699 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.9 t 54.18 105.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.424 -0.797 . . . . 0.0 110.667 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.85 147.98 31.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.49 -0.756 . . . . 0.0 109.607 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 96.57 6.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.422 -0.799 . . . . 0.0 110.518 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.31 -167.35 1.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 109.912 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 12' ' ' ILE . 20.0 p -132.59 177.24 7.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.53 -0.731 . . . . 0.0 110.351 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD13 HD21 ' A' ' 79' ' ' LEU . 6.1 tp -82.87 -28.23 30.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.7 -0.625 . . . . 0.0 110.252 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.09 -28.29 43.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.612 -0.68 . . . . 0.0 110.219 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.56 -34.94 53.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.602 -0.687 . . . . 0.0 110.247 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.613 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.4 mt -79.03 -29.35 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.574 -0.704 . . . . 0.0 109.975 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.26 49.11 1.64 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.544 -0.723 . . . . 0.0 110.306 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -149.27 32.2 0.74 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.739 . . . . 0.0 110.233 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -128.26 92.39 3.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.575 -0.703 . . . . 0.0 110.225 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -122.26 47.48 1.91 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.671 -0.643 . . . . 0.0 110.2 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.32 168.0 9.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.507 -0.746 . . . . 0.0 110.167 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 45.94 1.17 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.591 -0.693 . . . . 0.0 110.197 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -125.25 -42.25 2.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.592 -0.693 . . . . 0.0 110.193 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -147.79 169.49 19.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.593 -0.692 . . . . 0.0 110.206 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -136.5 134.48 37.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.504 -0.748 . . . . 0.0 110.19 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE3' HG11 ' A' ' 29' ' ' VAL . 4.7 m0 -99.4 86.79 3.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.586 -0.696 . . . . 0.0 110.252 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' A' ' 32' ' ' LEU . 69.4 t -79.41 136.62 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.456 -0.777 . . . . 0.0 109.296 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.613 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.5 mp -114.96 134.92 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.58 -0.7 . . . . 0.0 109.913 177.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 3.9 mp -105.14 71.47 0.95 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 36.0 p-80 39.91 26.8 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -179.92 -61.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 173.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -76.92 151.69 35.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.746 -0.596 . . . . 0.0 111.119 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG11 ' CE3' ' A' ' 22' ' ' TRP . 46.3 t -109.85 119.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 32' ' ' LEU . 22.8 m-85 -99.28 119.73 38.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.474 -0.766 . . . . 0.0 111.264 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 76' ' ' ILE . 7.5 t0 -96.35 81.95 3.35 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.711 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -89.95 45.59 1.29 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.556 -0.715 . . . . 0.0 110.831 -173.59 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 31' ' ' ASP . 10.2 t -72.05 -26.52 62.22 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.371 -0.83 . . . . 0.0 110.213 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 15.6 ttmt -82.23 -21.02 36.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.602 ' HD1' HD23 ' A' ' 70' ' ' LEU . 68.9 t80 -85.89 -27.9 24.71 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.399 -0.813 . . . . 0.0 110.202 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -61.0 -46.86 89.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 178.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -24.31 63.09 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.724 . . . . 0.0 110.502 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.72 -67.89 0.72 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.441 -0.787 . . . . 0.0 110.104 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 18.6 m80 -79.82 172.24 10.38 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 109.903 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.54 -32.02 51.63 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 O-C-N 123.263 1.138 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 36' ' ' LEU . . . 60.67 50.5 66.94 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 63.94 2.04 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 56.69 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.67 -0.9 . . . . 0.0 110.85 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.54 46.97 1.38 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.187 -0.945 . . . . 0.0 110.422 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 HD12 ' A' ' 46' ' ' LEU . 8.6 p -61.58 -33.42 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.444 -0.785 . . . . 0.0 110.269 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.013 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -90.28 54.34 2.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.336 -0.853 . . . . 0.0 110.312 176.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 53.16 47.08 25.25 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 52.79 -176.5 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.985 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -79.63 -164.46 0.65 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.598 -0.689 . . . . 0.0 110.075 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.7 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.446 -0.784 . . . . 0.0 110.8 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.53 -45.43 89.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.79 -87.97 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.1 -167.94 1.75 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.552 -0.97 . . . . 0.0 110.154 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.78 -159.34 0.24 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.624 -0.672 . . . . 0.0 110.158 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.5 p -81.17 91.79 6.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.589 -0.694 . . . . 0.0 110.231 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -145.0 131.26 19.53 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.622 -0.674 . . . . 0.0 110.301 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 52.9 52.18 14.41 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.438 -0.789 . . . . 0.0 110.794 178.079 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -124.79 30.31 5.96 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.309 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.65 -164.88 1.64 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.588 -0.695 . . . . 0.0 110.316 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.21 110.1 18.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.609 -0.682 . . . . 0.0 110.266 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 62' ' ' GLY . 8.6 p -61.57 166.77 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.097 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 61' ' ' VAL . . . 86.12 62.45 1.58 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -165.39 -158.99 0.4 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.583 -0.951 . . . . 0.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -158.73 -146.01 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.4 m 53.22 97.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.001 -1.062 . . . . 0.0 110.576 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.0 100.32 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.419 -0.8 . . . . 0.0 110.687 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.93 -27.84 67.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.631 -0.668 . . . . 0.0 110.35 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -61.01 145.13 51.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.541 -0.724 . . . . 0.0 110.163 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.21 175.09 10.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.602 -0.686 . . . . 0.0 110.237 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.602 HD23 ' HD1' ' A' ' 35' ' ' PHE . 11.2 tp -90.85 42.54 1.11 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.707 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p -100.39 70.89 1.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -168.52 -40.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.537 -0.727 . . . . 0.0 110.189 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.8 p -96.96 30.38 2.73 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.494 -0.754 . . . . 0.0 110.371 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 70' ' ' LEU . 92.3 m-85 -152.01 29.17 0.58 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.432 -0.792 . . . . 0.0 110.207 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 76' ' ' ILE . 71.2 mt -102.43 164.8 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.521 -0.737 . . . . 0.0 109.716 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 31' ' ' ASP . 40.4 pt -121.6 -32.74 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.99 -153.26 10.62 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 4' ' ' VAL . 55.0 mt-10 -132.2 -169.06 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.599 -0.942 . . . . 0.0 110.582 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.75 HD21 HD13 ' A' ' 9' ' ' LEU . 11.4 tp -96.16 162.16 13.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.664 -0.647 . . . . 0.0 110.466 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.443 ' CD2' ' HD2' ' A' ' 81' ' ' PRO . 28.9 t-80 -85.82 147.01 44.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.554 -0.716 . . . . 0.0 110.069 176.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.443 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 50.4 Cg_exo -53.72 -22.27 22.43 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 O-C-N 123.421 1.222 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.32 -61.43 2.49 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.308 -0.87 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.459 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.8 m-20 -84.92 -21.73 29.54 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.463 -0.773 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 5.5 mtp180 -54.51 -59.78 4.23 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.284 -0.885 . . . . 0.0 110.535 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -90.03 -74.61 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.627 -0.671 . . . . 0.0 110.163 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.59 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -169.94 -76.12 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.491 -0.755 . . . . 0.0 109.771 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 86' ' ' LYS . 50.7 mm -135.99 56.37 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.569 -0.707 . . . . 0.0 109.925 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.89 55.11 3.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.228 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' N ' ' CD ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -85.03 -50.12 0.57 Allowed Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.563 -0.711 . . . . 0.0 110.486 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 89' ' ' LYS . 50.2 Cg_exo -52.12 160.34 3.3 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 O-C-N 123.196 1.103 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -167.69 79.44 0.18 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.606 -0.684 . . . . 0.0 110.169 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -164.54 -71.69 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 110.173 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 94' ' ' LEU . 4.4 m -82.09 173.77 11.85 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.547 -0.721 . . . . 0.0 110.217 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' H ' HG22 ' A' ' 93' ' ' THR . 4.7 mp . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.212 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.049 0.452 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -130.4 -165.84 1.6 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.511 -0.743 . . . . 0.0 110.194 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.1 -158.76 0.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.509 -0.745 . . . . 0.0 110.252 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -78.36 134.13 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.543 -0.723 . . . . 0.0 110.066 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -110.1 148.4 31.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.627 -0.671 . . . . 0.0 109.531 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -79.72 80.68 6.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.437 -0.79 . . . . 0.0 110.228 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -61.33 141.85 57.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.629 -0.669 . . . . 0.0 110.006 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -84.91 157.28 20.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.611 -0.681 . . . . 0.0 110.406 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 83' ' ' ASP . 11.5 tp -59.44 -26.84 65.53 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.576 -0.703 . . . . 0.0 110.434 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.75 -26.98 50.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.508 -0.745 . . . . 0.0 110.394 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -29.28 49.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.557 -0.715 . . . . 0.0 110.225 178.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 24' ' ' ILE . 51.3 mm -77.1 -37.08 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.553 -0.717 . . . . 0.0 109.955 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.31 49.06 1.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.591 -0.693 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.28 37.87 3.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.463 -0.773 . . . . 0.0 110.308 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 65.2 m-70 -115.47 108.22 16.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.587 -0.695 . . . . 0.0 110.121 177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -44.04 0.19 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.646 -0.659 . . . . 0.0 110.323 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -79.75 -68.08 0.7 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.541 -0.725 . . . . 0.0 110.267 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -61.26 161.41 9.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.522 -0.736 . . . . 0.0 110.077 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.07 136.37 43.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 110.15 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -171.88 -159.12 0.14 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.598 -0.689 . . . . 0.0 109.873 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -159.44 82.54 0.76 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' HG11 ' A' ' 29' ' ' VAL . 7.7 m95 -83.61 83.03 8.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.568 -0.707 . . . . 0.0 110.245 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 ' HB3' ' A' ' 46' ' ' LEU . 82.7 t -84.56 142.24 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.482 HD12 ' N ' ' A' ' 24' ' ' ILE . 5.0 mp -114.13 137.21 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' A' ' 30' ' ' TYR . 8.4 mp -103.58 -75.65 0.61 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.525 -0.735 . . . . 0.0 110.625 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -120.64 -41.65 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 81' ' ' PRO . 6.5 t-160 -159.02 25.83 0.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.571 -0.706 . . . . 0.0 110.262 175.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 48.2 mttt -126.85 143.11 51.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.472 -0.767 . . . . 0.0 110.25 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 12' ' ' ILE . 47.5 t -99.76 118.67 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.688 -0.633 . . . . 0.0 109.515 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.706 ' CE1' HD13 ' A' ' 25' ' ' LEU . 28.3 m-85 -95.55 122.62 38.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.487 -0.758 . . . . 0.0 111.133 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.579 ' OD1' HG22 ' A' ' 33' ' ' THR . 38.6 t0 -100.95 83.8 2.58 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.93 HD22 ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -95.8 29.4 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.619 -0.676 . . . . 0.0 110.315 -174.54 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.579 HG22 ' OD1' ' A' ' 31' ' ' ASP . 8.0 t -60.21 -28.69 68.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.407 -0.808 . . . . 0.0 110.259 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.12 -40.04 47.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.502 -0.748 . . . . 0.0 109.847 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE2' ' NE2' ' A' ' 39' ' ' HIS . 29.1 t80 -64.5 -37.99 89.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.646 -0.659 . . . . 0.0 109.764 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.737 ' O ' HD23 ' A' ' 36' ' ' LEU . 2.9 tt -61.23 -31.86 71.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.652 -0.655 . . . . 0.0 110.125 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -91.4 -24.98 19.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.649 -0.657 . . . . 0.0 110.509 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.74 -27.02 40.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.447 -0.783 . . . . 0.0 110.276 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 68.9 m-70 -109.53 98.42 32.37 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.502 -0.749 . . . . 0.0 110.015 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.99 102.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.368 1.194 . . . . 0.0 111.0 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.94 55.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.689 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -71.07 70.25 0.79 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.23 -45.42 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.63 -0.923 . . . . 0.0 109.946 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -100.23 -27.64 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.592 -0.692 . . . . 0.0 110.324 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 45' ' ' VAL . 32.9 m -59.3 104.42 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.505 -0.747 . . . . 0.0 110.416 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.93 ' CD1' HD22 ' A' ' 32' ' ' LEU . 1.5 mt 47.73 27.34 1.05 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.39 -0.819 . . . . 0.0 111.47 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -109.68 -27.6 9.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.644 -0.66 . . . . 0.0 110.322 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -60.11 117.92 5.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.484 -0.76 . . . . 0.0 110.39 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.56 -164.71 1.09 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.562 -0.711 . . . . 0.0 110.145 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.22 29.36 8.3 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.38 -0.825 . . . . 0.0 110.712 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.61 110.93 1.06 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.2 -111.35 0.01 OUTLIER Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 52.87 -165.69 0.07 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.381 -1.07 . . . . 0.0 110.806 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.68 -166.38 1.07 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.61 -0.681 . . . . 0.0 110.153 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -59.35 -25.66 64.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.74 . . . . 0.0 110.548 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 56.4 -86.33 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.643 -0.661 . . . . 0.0 110.823 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -143.94 35.59 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.022 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 52.26 -88.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 111.365 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -122.38 -51.47 1.97 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.939 -1.101 . . . . 0.0 110.235 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 t70 50.24 66.87 1.02 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.407 -0.808 . . . . 0.0 110.863 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.44 46.06 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.59 -0.694 . . . . 0.0 110.292 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.27 52.51 46.54 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.51 155.83 20.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.586 -0.949 . . . . 0.0 110.181 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.1 p -157.15 44.39 0.37 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.571 -0.706 . . . . 0.0 110.208 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.787 HG23 ' OD2' ' A' ' 66' ' ' ASP . 7.5 t -168.27 -177.22 3.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.787 ' OD2' HG23 ' A' ' 65' ' ' THR . 3.3 p30 38.94 -156.42 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 169.7 8.07 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -85.11 -72.09 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.608 -0.682 . . . . 0.0 110.199 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -123.05 107.43 11.78 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.559 -0.713 . . . . 0.0 110.219 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -90.86 20.95 4.4 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 111.095 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -61.72 -26.28 67.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.176 -0.953 . . . . 0.0 110.314 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 73' ' ' THR . 5.0 pttm -68.98 -22.36 64.1 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.555 -0.715 . . . . 0.0 110.825 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' HG3' ' A' ' 72' ' ' LYS . 62.4 p -93.25 -23.19 18.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.336 -0.852 . . . . 0.0 110.61 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' HD12 ' A' ' 70' ' ' LEU . 4.8 m-85 -92.75 44.52 1.16 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.48 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 72' ' ' LYS . 70.3 mt -107.96 166.19 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.528 -0.732 . . . . 0.0 109.927 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 75' ' ' ILE . 32.8 pt -121.72 -34.1 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.465 -0.772 . . . . 0.0 110.798 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.22 -147.42 6.24 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 34.3 mt-10 -133.28 -175.5 3.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.597 -0.943 . . . . 0.0 110.303 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 80' ' ' HIS . 8.9 tt -106.83 162.74 13.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.366 178.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.65 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.6 t-80 -81.37 118.43 72.22 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.606 -0.684 . . . . 0.0 110.203 178.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -53.39 -23.12 23.03 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.141 1.074 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.69 -49.03 74.07 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.369 -0.832 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.689 ' HB3' HD22 ' A' ' 9' ' ' LEU . 48.3 m-20 -93.67 -22.38 18.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.502 -0.749 . . . . 0.0 110.708 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.541 ' CG ' HD22 ' A' ' 79' ' ' LEU . 1.4 tmm_? -58.27 -45.97 86.9 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.389 -0.82 . . . . 0.0 110.439 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' ILE . 1.3 m -90.07 8.17 34.05 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.532 -0.73 . . . . 0.0 111.074 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt 54.89 56.19 6.93 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.1 -1.0 . . . . 0.0 110.396 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' HD12 ' A' ' 87' ' ' ILE . 2.9 pp -143.36 31.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.602 -0.686 . . . . 0.0 110.327 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.95 -75.22 0.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.541 -0.724 . . . . 0.0 110.005 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt 51.7 63.65 9.02 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.34 -0.85 . . . . 0.0 110.867 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.4 91.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.35 0 O-C-N 123.287 1.151 . . . . 0.0 110.963 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 t -144.85 28.55 1.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.479 -0.763 . . . . 0.0 110.288 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 52.92 98.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.364 -0.835 . . . . 0.0 110.814 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 93' ' ' THR . 19.5 m -149.07 29.0 0.81 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.492 -0.755 . . . . 0.0 110.229 177.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.115 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.099 0.476 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -164.06 46.89 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.21 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t70 52.83 -176.23 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.438 -0.789 . . . . 0.0 110.844 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.872 HG11 ' OE1' ' A' ' 78' ' ' GLU . 69.2 t -82.88 140.9 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.15 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -101.5 140.99 35.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.674 -0.641 . . . . 0.0 109.439 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.63 77.99 6.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.449 -0.782 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' A' ' 76' ' ' ILE . 34.1 m-85 -62.07 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.601 -0.687 . . . . 0.0 109.853 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 12' ' ' ILE . 76.2 p -136.59 168.55 19.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.484 -0.76 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HD21 ' A' ' 79' ' ' LEU . 4.5 tp -72.1 -31.85 66.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.645 -0.659 . . . . 0.0 110.095 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.79 -27.11 67.31 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.627 -0.67 . . . . 0.0 110.328 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -79.9 -28.85 39.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.522 -0.737 . . . . 0.0 110.417 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 24' ' ' ILE . 7.8 mt -88.12 -22.55 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.482 -0.761 . . . . 0.0 110.306 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -90.45 21.47 3.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.317 -0.864 . . . . 0.0 111.215 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -144.48 51.06 1.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.233 -0.917 . . . . 0.0 110.335 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -122.2 132.84 54.65 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.179 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.83 -167.94 1.59 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.132 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -70.47 0.52 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.632 -0.667 . . . . 0.0 110.215 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m 52.78 -159.65 0.12 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.413 -0.804 . . . . 0.0 110.749 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.75 -28.89 22.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.52 -0.738 . . . . 0.0 110.236 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.0 p -93.16 173.11 7.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.573 -0.705 . . . . 0.0 110.203 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.736 ' CG2' HD12 ' A' ' 36' ' ' LEU . 7.0 t -162.42 135.58 6.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.559 -0.713 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -94.42 77.53 3.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.709 -0.619 . . . . 0.0 109.905 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.742 HG11 ' CD2' ' A' ' 46' ' ' LEU . 58.8 t -79.61 117.5 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.609 -0.682 . . . . 0.0 109.865 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 12' ' ' ILE . 48.4 mm -79.42 136.68 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.52 -0.738 . . . . 0.0 110.544 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -133.58 84.61 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.659 -0.651 . . . . 0.0 109.671 176.852 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 54.56 87.58 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.462 -0.774 . . . . 0.0 110.746 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 54.05 26.79 6.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.5 -0.75 . . . . 0.0 111.266 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -135.77 142.17 44.9 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.311 -0.868 . . . . 0.0 110.409 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.4 t -107.58 126.18 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.541 -0.724 . . . . 0.0 109.65 177.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.494 ' HB3' HD11 ' A' ' 32' ' ' LEU . 24.5 m-85 -108.26 129.69 55.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.756 . . . . 0.0 111.129 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -102.91 82.93 2.16 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -91.89 42.54 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.634 -0.666 . . . . 0.0 110.653 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -62.12 -26.42 68.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.47 -0.768 . . . . 0.0 110.212 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.38 51.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.527 -0.733 . . . . 0.0 110.43 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 70' ' ' LEU . 85.6 t80 -89.91 -43.09 10.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 0.0 110.369 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.8 tt -50.66 -26.49 5.51 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.34 -0.85 . . . . 0.0 110.839 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -95.38 -21.89 18.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.559 -0.713 . . . . 0.0 110.669 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -79.52 -36.93 37.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.977 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 65.7 m80 -135.09 61.79 48.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 109.72 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -65.76 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.217 1.114 . . . . 0.0 111.324 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.73 -71.19 0.7 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.01 -66.32 0.03 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.41 -45.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.951 . . . . 0.0 109.866 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.29 98.45 8.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 46' ' ' LEU . 20.2 m -134.23 -47.33 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.291 -0.881 . . . . 0.0 110.765 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.85 HD11 HD13 ' A' ' 32' ' ' LEU . 1.4 mp 55.66 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.592 -0.693 . . . . 0.0 111.365 176.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' VAL . 34.9 mtp180 -144.71 -45.05 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.197 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.58 41.75 0.62 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.29 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -85.24 100.58 11.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.501 -0.749 . . . . 0.0 110.272 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.49 -53.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.594 -0.691 . . . . 0.0 110.185 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.39 41.19 2.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.78 114.02 0.29 Allowed Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -102.08 137.1 40.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.555 -0.968 . . . . 0.0 110.24 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.86 91.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.331 -0.856 . . . . 0.0 110.836 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 56' ' ' GLU . 3.8 m -153.71 174.81 14.02 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.139 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' H ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -60.19 -26.91 66.72 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.53 -0.731 . . . . 0.0 110.356 178.132 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -114.38 103.11 10.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.061 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' A' ' 25' ' ' LEU . 36.4 p90 -136.3 26.45 3.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.501 -0.749 . . . . 0.0 110.456 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 47' ' ' ARG . 1.5 pt-20 -120.54 -179.87 4.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -133.81 -164.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.538 -0.726 . . . . 0.0 110.307 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 61' ' ' VAL . 8.8 p -165.72 118.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.619 -0.675 . . . . 0.0 110.19 177.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.9 110.42 3.01 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -159.41 -61.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.614 -0.933 . . . . 0.0 110.207 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.4 t -162.06 -42.64 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.606 -0.683 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.9 t -142.76 42.54 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.622 -0.674 . . . . 0.0 110.166 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 52.99 98.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.443 -0.786 . . . . 0.0 110.751 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 1.088 ' HB1' HD13 ' A' ' 70' ' ' LEU . . . -90.38 47.23 1.41 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.552 -0.717 . . . . 0.0 110.382 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -28.01 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 73' ' ' THR . 9.5 tt0 -93.81 41.58 1.09 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.669 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.088 HD13 ' HB1' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -90.08 -65.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.486 -0.759 . . . . 0.0 109.816 176.609 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -71.57 65.05 0.45 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.509 -0.744 . . . . 0.0 110.064 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 25.4 tptt -167.23 -60.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.682 . . . . 0.0 109.936 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 69' ' ' GLU . 9.7 t -74.87 -23.48 58.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.56 -0.713 . . . . 0.0 110.491 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -89.95 47.47 1.46 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.393 -0.817 . . . . 0.0 110.25 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 30' ' ' TYR . 73.3 mt -125.7 156.29 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.412 -0.805 . . . . 0.0 110.246 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.8 pt -116.24 -24.79 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.668 -0.645 . . . . 0.0 110.886 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.699 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 174.0 -143.81 7.23 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.872 ' OE1' HG11 ' A' ' 4' ' ' VAL . 34.3 mt-10 -141.76 -170.05 3.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.54 -0.976 . . . . 0.0 110.234 176.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 9' ' ' LEU . 27.6 tp -100.06 153.17 19.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 110.113 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -72.83 134.07 81.67 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.651 -0.655 . . . . 0.0 110.01 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.4 Cg_exo -54.17 -22.56 26.14 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.118 1.062 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' ILE . 8.7 t0 -56.94 -60.27 3.82 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 0.0 110.824 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.751 ' HB3' HD22 ' A' ' 9' ' ' LEU . 55.5 m-20 -79.92 -8.3 59.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.51 -0.744 . . . . 0.0 111.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HG2' HD23 ' A' ' 79' ' ' LEU . 11.1 mmm180 -59.49 -82.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.181 -0.949 . . . . 0.0 110.496 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -90.75 -86.52 0.21 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.226 -0.921 . . . . 0.0 110.589 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 90.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.024 -1.047 . . . . 0.0 110.08 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -82.84 6.67 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.599 -0.688 . . . . 0.0 111.147 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.31 74.93 0.36 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.162 -0.961 . . . . 0.0 110.132 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.669 ' HD3' HG22 ' A' ' 93' ' ' THR . 0.0 OUTLIER -58.93 111.51 3.78 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.493 -0.755 . . . . 0.0 110.384 178.182 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.5 -38.94 55.09 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 O-C-N 123.121 1.064 . . . . 0.0 111.234 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.74 -41.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.568 -0.707 . . . . 0.0 110.32 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.79 137.98 58.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.541 -0.724 . . . . 0.0 110.233 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.669 HG22 ' HD3' ' A' ' 89' ' ' LYS . 41.0 p -125.48 -72.06 0.68 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.636 -0.665 . . . . 0.0 110.237 178.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.335 178.525 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 120.758 0.313 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -157.53 150.56 23.35 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.36 -0.837 . . . . 0.0 110.152 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' OD2' HG23 ' A' ' 4' ' ' VAL . 11.6 p-10 -113.05 -172.5 2.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.302 178.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 78' ' ' GLU . 97.7 t 53.29 91.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.779 . . . . 0.0 110.684 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 2.1 tttp -84.1 158.12 21.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.551 -0.718 . . . . 0.0 109.643 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -85.74 86.27 7.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.5 -0.75 . . . . 0.0 110.463 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.91 ' HB3' HD11 ' A' ' 12' ' ' ILE . 80.1 m-85 -75.04 135.35 41.25 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.601 -0.687 . . . . 0.0 109.8 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -92.04 130.52 37.76 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.532 -0.73 . . . . 0.0 110.083 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.617 HD21 ' C ' ' A' ' 83' ' ' ASP . 4.2 pp -57.22 -25.37 58.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.441 -0.787 . . . . 0.0 110.452 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.7 mm-40 -59.15 -38.76 80.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.495 -0.753 . . . . 0.0 110.161 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.42 -26.25 23.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.726 . . . . 0.0 110.548 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.91 HD11 ' HB3' ' A' ' 7' ' ' TYR . 70.5 mt -82.86 -18.98 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.523 -0.736 . . . . 0.0 110.694 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.92 48.91 1.69 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.212 -0.93 . . . . 0.0 110.32 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -168.48 33.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.031 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.13 -168.71 1.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.598 -0.689 . . . . 0.0 110.22 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -91.92 163.73 13.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.619 -0.676 . . . . 0.0 110.21 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -111.1 -27.51 8.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.514 -0.742 . . . . 0.0 110.36 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -60.52 -28.27 68.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.476 -0.765 . . . . 0.0 110.264 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -147.22 166.37 27.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.509 -0.744 . . . . 0.0 110.361 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t 52.88 69.08 0.74 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.355 -0.841 . . . . 0.0 110.785 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -76.96 113.93 15.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.541 -0.724 . . . . 0.0 110.314 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.456 ' HE3' HG23 ' A' ' 12' ' ' ILE . 8.5 m95 -99.03 66.44 1.55 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.448 -0.783 . . . . 0.0 110.131 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 46' ' ' LEU . 80.5 t -81.95 152.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.494 -0.754 . . . . 0.0 109.915 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 28' ' ' LYS . 5.0 mp -123.44 138.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.545 -0.722 . . . . 0.0 109.839 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 58' ' ' PHE . 3.0 mm? -82.31 -76.02 0.28 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.547 -0.721 . . . . 0.0 110.118 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -124.16 -51.85 1.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.529 -0.732 . . . . 0.0 109.728 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -142.25 24.12 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.628 -0.67 . . . . 0.0 110.241 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.0 mtmt -123.88 138.16 54.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.473 -0.767 . . . . 0.0 110.183 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.5 t -94.11 125.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.768 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 32' ' ' LEU . 29.9 m-85 -107.68 129.41 55.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.569 -0.707 . . . . 0.0 111.175 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 76' ' ' ILE . 22.1 t0 -105.93 77.95 1.29 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -87.93 49.74 1.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.628 -0.67 . . . . 0.0 110.466 -174.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -70.03 -25.3 63.5 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.395 -0.816 . . . . 0.0 110.266 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -75.81 -30.28 58.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.464 -0.773 . . . . 0.0 109.926 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 70' ' ' LEU . 75.8 t80 -74.9 -41.93 58.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 109.77 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD21 ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -60.71 -35.39 76.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.554 -0.716 . . . . 0.0 110.119 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.53 26.14 4.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -104.69 -30.18 10.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.515 -0.74 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -128.32 85.93 59.17 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.607 -0.683 . . . . 0.0 109.974 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.29 96.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.34 1.179 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.27 30.99 2.74 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.76 87.83 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 67.32 -63.05 0.3 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.659 -0.907 . . . . 0.0 110.844 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.57 38.54 1.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.851 . . . . 0.0 110.61 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 36' ' ' LEU . 97.1 t -73.29 170.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 O-C-N 121.456 -0.777 . . . . 0.0 109.508 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 32' ' ' LEU . 2.0 mt -52.18 -26.35 11.32 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.318 -0.864 . . . . 0.0 111.089 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HD2' HD21 ' A' ' 36' ' ' LEU . 8.1 ptm180 -58.41 -27.3 64.17 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.77 . . . . 0.0 110.517 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.09 -63.28 1.45 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.497 -0.752 . . . . 0.0 110.208 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 52.72 95.61 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.436 -0.79 . . . . 0.0 110.799 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.45 99.79 8.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.561 -0.712 . . . . 0.0 110.199 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.92 109.39 1.78 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.94 30.85 9.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.09 -42.54 1.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.63 -0.924 . . . . 0.0 110.214 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.23 -165.4 1.79 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.604 -0.685 . . . . 0.0 110.185 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -82.37 -63.11 1.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.48 -0.762 . . . . 0.0 110.239 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 52.91 98.09 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.9 98.36 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.322 -0.861 . . . . 0.0 110.783 178.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 12.3 t80 -90.28 -56.33 3.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.226 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.35 124.85 29.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 110.244 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -36.04 10.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.513 -0.742 . . . . 0.0 110.141 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 62' ' ' GLY . 9.0 p -144.43 167.04 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 110.253 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 61' ' ' VAL . . . -102.46 168.09 18.33 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.784 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 15.1 m80 -111.39 -26.85 8.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.536 -0.979 . . . . 0.0 110.321 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 65' ' ' THR . 8.2 p 51.16 37.7 18.98 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.552 -0.718 . . . . 0.0 110.99 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 64' ' ' SER . 6.3 p -154.94 -72.11 0.12 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.602 -0.686 . . . . 0.0 110.169 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -124.8 43.27 3.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.528 -0.732 . . . . 0.0 110.141 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 63' ' ' HIS . . . -83.26 -156.78 0.21 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.664 -0.647 . . . . 0.0 110.241 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 55.55 172.65 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.502 -0.749 . . . . 0.0 110.747 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.71 23.74 2.85 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.382 -0.824 . . . . 0.0 111.017 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -90.75 -63.68 1.24 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.458 -0.777 . . . . 0.0 110.09 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -71.31 67.34 0.48 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 0.0 110.186 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -168.46 -40.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.503 -0.748 . . . . 0.0 110.071 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 73' ' ' THR . 8.3 t -99.31 -22.0 15.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.571 -0.706 . . . . 0.0 110.565 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 28.9 m-85 -90.91 47.76 1.45 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 178.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.0 mt -123.52 165.32 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.745 HD11 ' CG1' ' A' ' 29' ' ' VAL . 31.4 pt -127.63 -35.81 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.53 -0.732 . . . . 0.0 110.965 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.13 -154.23 11.8 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG3' HG13 ' A' ' 4' ' ' VAL . 10.8 mt-10 -110.92 -168.23 1.28 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.581 -0.952 . . . . 0.0 110.355 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 7' ' ' TYR . 69.1 tp -110.49 159.5 17.46 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.586 -0.696 . . . . 0.0 110.044 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -85.72 113.61 52.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.629 -0.669 . . . . 0.0 110.013 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.525 ' O ' HD13 ' A' ' 87' ' ' ILE . 50.4 Cg_exo -53.2 -22.79 20.81 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 O-C-N 123.185 1.097 . . . . 0.0 111.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -53.94 -54.3 40.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.32 -0.862 . . . . 0.0 111.266 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.617 ' C ' HD21 ' A' ' 9' ' ' LEU . 41.2 m-20 -83.94 -14.94 49.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.364 -0.835 . . . . 0.0 111.28 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HD3' HD23 ' A' ' 79' ' ' LEU . 10.9 mmm-85 -51.15 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.097 -1.002 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 t -90.87 -87.11 0.2 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.153 -0.967 . . . . 0.0 110.408 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.66 70.88 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.105 -0.997 . . . . 0.0 109.755 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.597 ' O ' HG22 ' A' ' 87' ' ' ILE . 5.2 mp -90.95 49.89 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.353 -0.842 . . . . 0.0 110.082 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.02 -158.45 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.476 -0.765 . . . . 0.0 109.976 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -168.32 143.79 3.0 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.532 -0.73 . . . . 0.0 110.085 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.24 -176.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 O-C-N 123.359 1.189 . . . . 0.0 111.043 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -76.27 -40.95 50.47 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.549 -0.719 . . . . 0.0 110.17 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -167.92 80.63 0.18 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.55 -0.719 . . . . 0.0 110.261 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.9 m -159.93 -64.61 0.07 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.533 -0.729 . . . . 0.0 110.202 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.128 178.147 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 31.34 0.07 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.49 -0.756 . . . . 0.0 110.274 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.34 -177.81 4.75 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.548 -0.72 . . . . 0.0 110.155 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.659 HG13 ' C ' ' A' ' 77' ' ' GLY . 94.3 t -80.77 145.1 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.591 -0.693 . . . . 0.0 110.067 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -156.07 0.59 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.572 -0.705 . . . . 0.0 109.903 176.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -132.53 96.39 3.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.495 -0.753 . . . . 0.0 110.298 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 76' ' ' ILE . 37.2 m-85 -81.5 135.21 35.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.574 -0.704 . . . . 0.0 110.251 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -67.08 151.69 47.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.587 -0.695 . . . . 0.0 110.04 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 83' ' ' ASP . 7.7 tp -66.49 -28.84 68.88 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.567 -0.708 . . . . 0.0 110.203 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -69.47 -27.84 65.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.573 -0.705 . . . . 0.0 110.194 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -26.27 49.21 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.534 -0.729 . . . . 0.0 110.396 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 24' ' ' ILE . 68.5 mt -83.8 -20.18 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.527 -0.733 . . . . 0.0 110.478 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -90.35 48.71 1.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.335 -0.853 . . . . 0.0 110.352 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 26.42 0.88 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -0.758 . . . . 0.0 110.452 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 m80 -98.64 -156.06 0.53 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 109.725 177.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 56.67 52.4 9.7 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.127 -0.983 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -168.36 -45.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.651 -0.656 . . . . 0.0 109.845 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.55 50.49 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.602 -0.686 . . . . 0.0 110.054 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.94 -152.67 0.45 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.51 -0.743 . . . . 0.0 109.928 178.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 33' ' ' THR . 18.7 m -102.23 -158.76 0.69 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 110.48 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 32' ' ' LEU . 7.2 t -103.53 86.84 2.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.442 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -80.0 75.76 6.73 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.465 -0.772 . . . . 0.0 110.273 177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.6 137.74 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.591 -0.693 . . . . 0.0 109.332 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 12' ' ' ILE . 7.1 mt -109.77 136.85 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.378 -0.826 . . . . 0.0 110.456 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 30' ' ' TYR . 4.2 mm? -98.9 51.22 0.96 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.45 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' OD2' ' A' ' 53' ' ' ASP . 46.5 m-70 56.92 18.97 4.2 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.614 -0.679 . . . . 0.0 110.887 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.4 t60 -176.29 -62.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.0 110.04 176.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 24.1 mttp -80.75 147.55 30.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.683 -0.636 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.81 125.68 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.582 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CD1' HD23 ' A' ' 25' ' ' LEU . 23.3 m-85 -107.14 123.54 48.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 111.034 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' HG23 ' A' ' 33' ' ' THR . 14.1 t0 -105.48 85.58 2.27 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -96.8 69.69 2.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.543 -0.723 . . . . 0.0 110.28 -173.772 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.44 HG23 ' OD1' ' A' ' 31' ' ' ASP . 77.1 p -67.72 -41.59 83.25 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.422 -0.799 . . . . 0.0 109.964 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -60.53 -30.77 69.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.57 -0.706 . . . . 0.0 109.85 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 46' ' ' LEU . 80.8 t80 -80.65 -43.23 20.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.594 -0.691 . . . . 0.0 109.485 175.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.3 tm? -61.95 -30.28 70.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.779 -0.575 . . . . 0.0 109.738 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -77.37 -29.46 53.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.243 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -85.41 -28.9 24.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.574 -0.704 . . . . 0.0 110.206 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 67.1 m80 -119.62 84.84 31.32 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 110.252 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.98 103.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 O-C-N 123.357 1.188 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.79 -88.77 0.07 OUTLIER Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -173.26 -149.76 7.06 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.7 -72.39 0.19 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.974 . . . . 0.0 110.217 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.58 69.03 0.4 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.297 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.82 -19.37 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.518 -0.739 . . . . 0.0 110.683 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 32' ' ' LEU . 1.5 mp -57.33 169.94 0.56 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.268 -0.895 . . . . 0.0 110.15 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -71.86 64.55 0.5 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.611 -0.681 . . . . 0.0 110.177 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -155.55 112.41 3.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.449 -0.782 . . . . 0.0 110.175 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.62 -155.9 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.625 -0.672 . . . . 0.0 109.993 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.39 82.33 0.05 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.525 -0.734 . . . . 0.0 110.178 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.48 -89.07 0.08 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.2 -84.72 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 26' ' ' HIS . 12.4 t70 53.48 99.46 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.386 -1.067 . . . . 0.0 110.737 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.34 167.67 13.8 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -0.752 . . . . 0.0 110.263 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.616 HG23 ' CD ' ' A' ' 56' ' ' GLU . 8.1 t -106.9 -154.85 0.53 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.165 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.616 ' CD ' HG23 ' A' ' 55' ' ' THR . 2.5 mp0 57.25 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.514 -0.741 . . . . 0.0 110.484 178.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.59 72.03 6.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.099 -1.001 . . . . 0.0 109.899 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.636 ' CD1' HD12 ' A' ' 25' ' ' LEU . 27.8 m-85 -59.32 -169.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.355 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.5 117.19 33.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.579 -0.701 . . . . 0.0 110.3 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.46 153.38 51.07 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.62 -0.675 . . . . 0.0 110.184 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.33 162.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.596 -0.69 . . . . 0.0 110.189 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.56 -149.19 15.94 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -135.87 -70.33 0.48 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.612 -0.934 . . . . 0.0 110.257 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -131.85 -52.8 0.99 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.657 -0.652 . . . . 0.0 110.219 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 66' ' ' ASP . 7.8 t -132.3 -40.52 1.01 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.548 -0.72 . . . . 0.0 110.61 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 65' ' ' THR . 7.7 t0 -62.17 118.44 7.38 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.56 58.18 4.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.612 -0.68 . . . . 0.0 110.267 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -81.21 174.44 11.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 0.0 110.165 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -112.75 141.21 46.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.529 -0.732 . . . . 0.0 110.207 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -81.29 -53.95 5.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.241 178.18 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -84.3 56.63 3.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.716 . . . . 0.0 110.23 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -146.03 -66.1 0.3 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.495 -0.753 . . . . 0.0 110.356 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.4 t -94.12 20.85 7.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.703 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 70' ' ' LEU . 36.2 m-85 -115.85 28.81 8.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.82 . . . . 0.0 109.796 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 30' ' ' TYR . 68.4 mt -113.79 157.99 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.537 -0.727 . . . . 0.0 110.789 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.836 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.6 pt -121.84 -26.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.667 -0.646 . . . . 0.0 111.092 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.659 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.06 -147.41 8.32 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG3' HG11 ' A' ' 4' ' ' VAL . 4.5 mt-10 -132.79 -166.81 1.81 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.518 -0.99 . . . . 0.0 110.744 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -103.34 132.29 49.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.732 -0.605 . . . . 0.0 109.846 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.635 ' N ' HD13 ' A' ' 79' ' ' LEU . 6.2 t-80 -60.86 114.55 10.69 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 173.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.74 -24.91 10.6 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 O-C-N 122.988 0.994 . . . . 0.0 111.687 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.14 -25.44 63.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.775 . . . . 0.0 110.802 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HD22 ' A' ' 9' ' ' LEU . 63.6 m-20 -134.07 -5.21 2.73 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.29 -0.881 . . . . 0.0 112.134 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD12 ' A' ' 79' ' ' LEU . 51.4 ttp180 -50.82 -48.79 59.72 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.938 -1.101 . . . . 0.0 110.845 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -90.18 -78.0 0.38 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.557 -0.714 . . . . 0.0 110.048 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -170.22 32.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.968 176.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.575 ' O ' HG22 ' A' ' 87' ' ' ILE . 3.6 mp -89.64 49.22 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.387 -0.821 . . . . 0.0 110.187 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.76 44.99 1.22 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.499 -0.751 . . . . 0.0 110.479 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mttm 51.73 62.55 10.72 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 121.341 -0.85 . . . . 0.0 110.783 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.89 -26.74 32.36 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.303 1.159 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.9 t 52.81 81.23 0.09 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.358 -0.839 . . . . 0.0 110.733 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -85.1 -165.56 1.24 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.526 -0.734 . . . . 0.0 110.196 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.2 m -83.05 -61.46 1.85 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.547 -0.721 . . . . 0.0 110.176 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.204 178.105 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.064 0.459 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -135.21 83.16 2.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.231 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.64 -160.08 0.33 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 110.197 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.528 HG11 ' CD ' ' A' ' 78' ' ' GLU . 75.9 t -82.3 141.86 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.559 -0.713 . . . . 0.0 110.04 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -115.82 147.68 40.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 109.683 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 81' ' ' PRO . 10.1 m-85 -79.89 86.78 5.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.51 -0.744 . . . . 0.0 110.285 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -61.48 -169.36 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.617 -0.677 . . . . 0.0 110.066 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.2 p -130.88 147.9 52.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.561 -0.712 . . . . 0.0 110.279 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 79' ' ' LEU . 5.9 tp -60.89 -27.72 68.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.569 -0.707 . . . . 0.0 110.295 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.58 -31.12 61.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.525 -0.734 . . . . 0.0 110.356 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -79.72 -26.1 40.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.523 -0.736 . . . . 0.0 110.431 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 9' ' ' LEU . 57.3 mt -79.3 -32.6 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.514 -0.741 . . . . 0.0 109.994 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.33 48.7 1.59 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.6 -0.687 . . . . 0.0 110.42 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 58.84 0.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' CE1' ' NE1' ' A' ' 22' ' ' TRP . 24.1 m-70 -114.41 85.45 2.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.561 -0.712 . . . . 0.0 110.188 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -139.26 28.22 2.29 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.688 -0.632 . . . . 0.0 110.298 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -103.26 -72.33 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.16 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p -102.3 -158.25 0.66 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.623 -0.673 . . . . 0.0 110.043 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -103.8 137.03 42.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 110.08 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -170.54 -168.99 0.75 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.589 -0.694 . . . . 0.0 110.11 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -160.57 118.16 2.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.597 -0.69 . . . . 0.0 110.251 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.646 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.8 m95 -107.05 82.98 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.719 . . . . 0.0 110.123 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 46' ' ' LEU . 93.7 t -85.55 104.05 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.673 -0.642 . . . . 0.0 110.18 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 29' ' ' VAL . 44.6 mm -79.37 137.2 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.382 -0.824 . . . . 0.0 109.631 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.658 HD13 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -105.77 -83.71 0.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 110.245 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -110.24 -27.43 9.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.208 -0.933 . . . . 0.0 110.124 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 78' ' ' GLU . 8.6 t-160 -167.18 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.62 -0.675 . . . . 0.0 109.739 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.48 142.5 58.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.547 -0.721 . . . . 0.0 110.395 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.796 HG22 HD12 ' A' ' 24' ' ' ILE . 59.5 t -100.11 124.03 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.662 -0.649 . . . . 0.0 109.504 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 25' ' ' LEU . 24.8 m-85 -92.59 114.23 26.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.528 -0.733 . . . . 0.0 111.021 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.9 t0 -95.29 72.99 3.31 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 170.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.18 57.95 2.39 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.672 -0.643 . . . . 0.0 110.446 -174.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.3 p -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -60.63 -25.11 66.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.482 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 39' ' ' HIS . 9.2 t80 -89.97 -27.68 19.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.599 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.4 tt -65.16 -26.14 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.571 -0.706 . . . . 0.0 110.398 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.68 -25.4 12.72 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.577 -0.702 . . . . 0.0 110.529 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 50.9 tt0 -86.41 -40.9 14.91 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.378 -0.827 . . . . 0.0 110.011 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 46.9 m80 -132.83 65.28 73.87 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.592 -0.693 . . . . 0.0 109.813 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 45' ' ' VAL . 50.1 Cg_exo -52.44 -53.6 6.61 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 O-C-N 123.288 1.152 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.69 -68.6 0.99 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 -52.85 0.05 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -168.8 -66.46 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.549 -0.971 . . . . 0.0 110.031 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt-10 -100.41 -7.97 23.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.5 -0.75 . . . . 0.0 111.07 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 43.85 -168.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.814 0 O-C-N 121.34 -0.85 . . . . 0.0 111.5 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mp 52.47 -88.75 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.444 -0.785 . . . . 0.0 111.233 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -135.66 109.44 8.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.018 -1.052 . . . . 0.0 110.22 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -97.25 30.56 2.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.224 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 52.85 27.19 5.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.419 -0.801 . . . . 0.0 110.762 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.64 164.48 12.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.56 -0.712 . . . . 0.0 110.21 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 146.31 50.34 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.84 169.42 22.47 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 53.35 -179.17 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.46 -1.023 . . . . 0.0 110.749 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.15 -158.94 0.26 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.59 -0.694 . . . . 0.0 110.162 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -104.99 28.15 7.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.537 -0.727 . . . . 0.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -123.37 28.52 7.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.512 -0.742 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -168.49 46.22 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.583 -0.698 . . . . 0.0 110.178 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 25' ' ' LEU . 2.5 m-85 -77.38 -68.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.56 -0.713 . . . . 0.0 110.194 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.03 92.03 3.69 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.595 -0.691 . . . . 0.0 110.116 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.57 103.8 12.44 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.609 -0.682 . . . . 0.0 110.189 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.539 ' CG1' ' HB2' ' A' ' 67' ' ' ALA . 35.5 m -61.19 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.596 -0.69 . . . . 0.0 110.204 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.58 -33.81 2.1 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -123.94 28.52 6.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.944 . . . . 0.0 110.316 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.87 134.03 2.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.557 -0.714 . . . . 0.0 110.19 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -89.88 50.83 1.95 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.517 -0.74 . . . . 0.0 110.212 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -164.43 75.36 0.3 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.54 -0.725 . . . . 0.0 110.236 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . . . -61.41 -65.26 0.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.544 -0.723 . . . . 0.0 110.158 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 53.62 21.69 2.7 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.365 -0.834 . . . . 0.0 111.318 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 53.45 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.391 -0.818 . . . . 0.0 110.774 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' ' 74' ' ' TYR . 6.7 tp -77.41 -25.46 50.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.599 -0.688 . . . . 0.0 110.38 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 p -72.03 64.52 0.53 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.287 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HA ' HD12 ' A' ' 75' ' ' ILE . 1.8 tptt -158.7 -68.16 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.558 -0.714 . . . . 0.0 109.89 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.677 HG23 ' CD1' ' A' ' 74' ' ' TYR . 9.0 t -63.18 -17.28 62.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.518 -0.738 . . . . 0.0 110.645 176.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.677 ' CD1' HG23 ' A' ' 73' ' ' THR . 64.9 m-85 -94.57 26.28 3.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.267 -0.896 . . . . 0.0 110.486 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 72' ' ' LYS . 70.2 mt -116.74 162.73 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.409 -0.807 . . . . 0.0 109.938 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD13 ' HB2' ' A' ' 31' ' ' ASP . 31.4 pt -124.89 -35.03 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' C ' HG13 ' A' ' 4' ' ' VAL . . . -175.34 -152.7 9.56 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' CD ' HG11 ' A' ' 4' ' ' VAL . 10.9 mt-10 -126.56 -167.71 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.632 -0.923 . . . . 0.0 110.124 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -106.83 166.31 10.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.557 -0.715 . . . . 0.0 109.984 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.5 ' N ' HD23 ' A' ' 79' ' ' LEU . 19.3 t-80 -81.07 133.01 55.05 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.728 . . . . 0.0 110.189 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 6' ' ' TYR . 50.4 Cg_exo -53.06 -23.73 22.89 Favored 'Trans proline' 0 N--CA 1.492 1.403 0 O-C-N 123.086 1.045 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.58 -55.16 37.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.377 -0.827 . . . . 0.0 110.532 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.53 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.2 m-20 -79.89 -24.0 41.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.56 -0.713 . . . . 0.0 110.387 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 3.6 tpm_? -58.03 -61.89 2.21 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.347 -0.846 . . . . 0.0 110.061 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -79.8 -149.0 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.652 -0.655 . . . . 0.0 109.445 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.837 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -110.55 -92.62 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.915 . . . . 0.0 109.361 175.847 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 86' ' ' LYS . 33.8 mm -136.67 -45.58 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.896 -1.128 . . . . 0.0 109.958 176.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 96.15 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.612 -0.68 . . . . 0.0 110.279 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.36 62.44 0.54 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.543 -0.723 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -63.42 0.24 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.27 1.142 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.5 p -168.59 -158.6 0.23 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.767 . . . . 0.0 110.178 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.88 149.66 27.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.551 -0.718 . . . . 0.0 110.283 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 p -147.82 26.96 0.99 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.506 -0.746 . . . . 0.0 110.337 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD12 ' OXT' ' A' ' 94' ' ' LEU . 3.5 pp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.409 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.06 0.457 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mttt 55.52 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.688 -0.633 . . . . 0.0 110.926 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.8 -164.04 0.08 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.932 -1.105 . . . . 0.0 110.774 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 78' ' ' GLU . 74.8 t -123.34 141.7 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.565 -0.709 . . . . 0.0 110.054 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -117.96 156.8 27.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.62 -0.675 . . . . 0.0 109.751 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.18 93.34 9.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 110.34 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.6 m-85 -75.64 -168.53 0.87 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.633 -0.667 . . . . 0.0 110.037 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p -125.94 163.84 22.09 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 83' ' ' ASP . 4.6 tp -72.74 -38.48 67.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.66 -0.65 . . . . 0.0 110.083 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.57 -27.62 67.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 0.0 110.298 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -90.28 -30.84 17.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.549 -0.719 . . . . 0.0 110.755 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CG2' HD11 ' A' ' 24' ' ' ILE . 73.6 mt -90.21 -54.16 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.477 -0.764 . . . . 0.0 110.378 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -55.54 -22.21 20.51 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.483 -0.761 . . . . 0.0 110.96 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -59.27 -27.45 65.83 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.462 -0.774 . . . . 0.0 110.412 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.8 m-70 -79.82 160.08 26.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 177.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.62 -42.42 0.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.564 -0.71 . . . . 0.0 110.461 178.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -169.04 -37.59 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.5 -0.75 . . . . 0.0 110.832 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -50.32 100.95 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 62.03 136.2 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.564 0.697 . . . . 0.0 110.866 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m 51.04 -173.4 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.371 -0.831 . . . . 0.0 111.054 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -157.4 118.79 3.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.517 -0.739 . . . . 0.0 110.35 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -93.7 75.6 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.769 . . . . 0.0 109.782 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.886 HG21 HD11 ' A' ' 46' ' ' LEU . 52.4 t -79.34 159.83 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.587 -0.696 . . . . 0.0 109.414 178.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.3 mp -137.99 136.29 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.686 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 30' ' ' TYR . 3.8 mm? -89.02 55.86 3.49 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 57.8 17.0 3.89 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.765 -0.584 . . . . 0.0 111.196 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -177.34 -62.31 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.086 -1.009 . . . . 0.0 110.088 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.04 127.45 33.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.623 -0.673 . . . . 0.0 110.414 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.3 t -87.81 128.95 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.552 -0.718 . . . . 0.0 109.583 176.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.733 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -106.87 137.69 44.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.682 . . . . 0.0 111.289 -178.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.3 t70 -109.65 84.12 1.87 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.61 27.94 2.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.591 -0.693 . . . . 0.0 110.602 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -58.86 -26.69 64.45 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.331 -0.856 . . . . 0.0 110.45 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -84.74 -29.08 25.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.193 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 83.2 t80 -84.1 -34.62 24.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.529 -0.732 . . . . 0.0 110.195 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -42.92 96.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.556 -0.715 . . . . 0.0 110.265 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.57 -21.48 38.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.709 -0.619 . . . . 0.0 110.733 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 16.1 mt-10 -79.44 -27.31 41.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 15.7 m80 -111.78 95.66 29.41 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.067 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.58 102.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.398 1.21 . . . . 0.0 111.009 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.13 -73.39 0.17 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' C ' HG22 ' A' ' 45' ' ' VAL . . . 90.95 -50.99 3.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -83.41 -46.6 12.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.683 -0.893 . . . . 0.0 110.234 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 45' ' ' VAL . 7.9 pt-20 -59.41 -26.1 64.87 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.47 -0.769 . . . . 0.0 110.549 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 44' ' ' GLU . 33.7 m -88.95 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.497 -0.752 . . . . 0.0 110.069 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.886 HD11 HG21 ' A' ' 23' ' ' VAL . 0.4 OUTLIER 53.79 27.61 7.27 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.296 -0.877 . . . . 0.0 110.72 177.772 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 67.16 1.04 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.476 -0.765 . . . . 0.0 110.729 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.65 -179.6 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.418 -0.801 . . . . 0.0 110.711 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -168.13 172.81 8.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.531 -0.731 . . . . 0.0 110.199 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.8 46.95 25.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.802 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.12 0.36 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.34 65.06 1.77 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -149.52 -167.92 2.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.561 -0.964 . . . . 0.0 110.234 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -168.95 1.89 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.622 -0.674 . . . . 0.0 110.213 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 57' ' ' ASN . 11.2 m -134.23 85.12 2.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.57 -0.707 . . . . 0.0 110.243 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 -21.86 63.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.555 -0.716 . . . . 0.0 110.638 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.634 ' O ' HG22 ' A' ' 55' ' ' THR . 72.2 m-20 -129.45 170.21 13.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.366 -0.833 . . . . 0.0 110.212 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HE1' HD12 ' A' ' 25' ' ' LEU . 34.2 m-85 -113.37 141.65 46.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.594 -0.691 . . . . 0.0 110.308 178.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 52.79 -166.1 0.07 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.468 -0.77 . . . . 0.0 110.802 178.136 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.51 123.42 48.4 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.589 -0.695 . . . . 0.0 110.243 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 62' ' ' GLY . 8.6 p -62.01 166.76 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.532 -0.73 . . . . 0.0 110.132 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 61' ' ' VAL . . . 142.61 -125.33 2.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -81.88 123.69 29.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.554 -0.969 . . . . 0.0 110.229 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -166.15 106.22 0.68 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.533 -0.729 . . . . 0.0 110.222 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.3 t -107.72 50.71 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.52 -0.738 . . . . 0.0 110.23 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -107.32 -163.8 0.93 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.647 -0.658 . . . . 0.0 110.27 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.54 93.44 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.598 -0.688 . . . . 0.0 110.312 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.7 -36.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 110.77 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -166.56 155.7 11.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.315 -0.866 . . . . 0.0 110.19 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 3.3 mm? -82.67 -28.3 30.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 110.324 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -72.07 64.42 0.53 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 110.195 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' HD11 ' A' ' 75' ' ' ILE . 12.4 tptt -168.88 -41.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 110.116 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -96.53 -23.85 16.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 110.58 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 11.9 m-85 -90.76 48.14 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 110.252 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.444 HD11 ' HA ' ' A' ' 72' ' ' LYS . 71.7 mt -112.83 162.71 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.465 -0.772 . . . . 0.0 109.817 178.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 ' CG1' ' A' ' 29' ' ' VAL . 42.6 pt -119.99 -31.82 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.448 -0.783 . . . . 0.0 110.968 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.21 -155.27 15.55 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 4' ' ' VAL . 5.0 mt-10 -126.44 -167.21 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.607 -0.937 . . . . 0.0 110.422 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 9' ' ' LEU . 64.3 tp -109.27 158.24 18.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.064 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -83.48 135.91 43.24 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 109.622 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.87 -21.75 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 O-C-N 123.132 1.07 . . . . 0.0 111.858 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -63.66 -13.68 44.9 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.267 -0.896 . . . . 0.0 111.735 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.777 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.5 m-20 -125.46 -3.13 7.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.0 111.415 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -51.08 175.84 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.151 -0.968 . . . . 0.0 110.941 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 t -56.16 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.586 -0.696 . . . . 0.0 111.261 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 56.38 88.99 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.822 . . . . 0.0 110.607 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.588 HD13 ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -114.49 61.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.186 0.517 . . . . 0.0 110.105 175.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.57 114.94 20.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.445 -0.784 . . . . 0.0 110.13 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -82.15 171.34 12.17 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.583 -0.698 . . . . 0.0 110.2 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.91 -176.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 O-C-N 123.435 1.229 . . . . 0.0 111.035 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -103.3 51.74 0.79 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.495 -0.753 . . . . 0.0 110.139 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 56.53 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.629 -0.669 . . . . 0.0 110.762 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.7 m -82.12 169.07 17.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.172 -0.955 . . . . 0.0 110.303 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.231 177.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.086 0.469 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -167.75 109.59 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.56 -0.712 . . . . 0.0 110.288 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 49.56 -165.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.389 -0.82 . . . . 0.0 111.208 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.806 HG11 ' CD ' ' A' ' 78' ' ' GLU . 79.1 t -63.72 150.83 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.599 -0.688 . . . . 0.0 110.112 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.12 -167.9 1.33 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.719 -0.613 . . . . 0.0 109.568 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.84 87.53 2.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.371 -0.83 . . . . 0.0 110.29 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 31.0 m-85 -61.4 -164.27 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.626 -0.671 . . . . 0.0 110.085 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.95 154.37 37.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.467 -0.771 . . . . 0.0 110.393 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 79' ' ' LEU . 13.9 tp -63.86 -28.44 69.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.628 -0.67 . . . . 0.0 110.25 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -74.7 -28.01 60.63 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.549 -0.72 . . . . 0.0 110.275 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.57 -28.73 64.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.212 178.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 79' ' ' LEU . 45.7 mt -94.66 -29.32 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.564 -0.71 . . . . 0.0 109.991 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.8 20.05 5.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.561 -0.712 . . . . 0.0 111.081 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -133.21 31.05 3.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.246 -0.909 . . . . 0.0 110.281 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -116.86 81.21 1.6 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 178.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -28.62 68.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.514 -0.741 . . . . 0.0 110.277 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -168.15 -66.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 p 49.57 31.78 4.42 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.527 -0.733 . . . . 0.0 111.112 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt 66.56 -66.78 0.17 Allowed 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.513 -0.742 . . . . 0.0 110.711 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -67.37 -177.98 0.79 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 110.119 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' THR . 7.3 t -137.74 126.09 23.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.564 -0.71 . . . . 0.0 110.294 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -99.89 84.64 2.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.583 -0.698 . . . . 0.0 110.249 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' C ' HD12 ' A' ' 24' ' ' ILE . 64.6 t -85.8 165.38 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.508 -0.745 . . . . 0.0 109.991 177.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -140.29 143.54 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.551 -0.718 . . . . 0.0 109.672 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 24' ' ' ILE . 7.8 mp -123.77 -79.73 0.62 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.458 -0.776 . . . . 0.0 110.495 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 54' ' ' ALA . 12.3 m-70 -108.41 78.05 1.14 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.297 -0.877 . . . . 0.0 109.846 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 54.63 22.24 3.9 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.0 110.677 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -119.84 141.24 49.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.614 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 76' ' ' ILE . 46.5 t -93.49 140.74 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.547 -0.721 . . . . 0.0 110.066 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -113.96 132.91 55.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.689 -0.632 . . . . 0.0 111.031 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.678 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.6 t0 -108.98 86.06 2.21 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -95.56 31.06 2.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.656 -0.653 . . . . 0.0 110.515 -175.197 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -62.91 -27.17 69.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.45 -0.781 . . . . 0.0 110.357 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -88.22 -28.94 20.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.14 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CD1' HD13 ' A' ' 70' ' ' LEU . 37.3 t80 -79.65 -27.28 40.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.58 -0.7 . . . . 0.0 110.238 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 36' ' ' LEU . 1.3 tt -59.81 -28.8 67.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.424 -0.797 . . . . 0.0 110.29 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -112.0 29.61 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.597 -0.689 . . . . 0.0 110.156 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.84 -53.41 2.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 110.305 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -117.44 80.56 13.01 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.14 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.473 1.249 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.75 -94.36 2.14 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.25 50.19 0.79 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 56.55 -85.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.713 -0.875 . . . . 0.0 110.759 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -94.3 107.58 19.52 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.154 -0.966 . . . . 0.0 110.157 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.96 -24.55 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.543 -0.723 . . . . 0.0 110.531 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 32' ' ' LEU . 5.0 mt -61.62 -70.62 0.18 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.446 -0.784 . . . . 0.0 110.434 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -107.56 -34.37 7.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.516 -0.74 . . . . 0.0 110.291 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 52.94 32.68 13.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.466 -0.771 . . . . 0.0 110.769 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 53.67 100.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.51 -0.744 . . . . 0.0 110.702 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.53 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.43 -0.794 . . . . 0.0 110.703 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -36.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.32 132.92 1.57 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -162.85 74.36 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.985 . . . . 0.0 110.292 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 26' ' ' HIS . . . -148.37 -49.69 0.16 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.734 . . . . 0.0 110.205 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 56' ' ' GLU . 4.2 m -111.13 174.16 5.99 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.521 -0.737 . . . . 0.0 110.188 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' CG ' HD21 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.41 43.28 1.52 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.562 -0.711 . . . . 0.0 110.184 177.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -87.88 -28.26 21.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.573 -0.705 . . . . 0.0 110.27 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 59' ' ' GLU . 29.4 p90 -59.69 -26.79 65.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.463 -0.773 . . . . 0.0 110.452 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 7.2 tt0 52.1 80.67 0.09 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.36 -0.837 . . . . 0.0 110.841 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' HG22 ' A' ' 61' ' ' VAL . 26.3 t70 50.33 67.69 0.88 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.378 -0.826 . . . . 0.0 110.831 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.489 HG22 ' C ' ' A' ' 60' ' ' ASP . 23.7 m 36.73 35.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.491 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.45 94.71 2.18 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 178.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 1.9 t-80 -87.94 -34.07 18.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.561 -0.964 . . . . 0.0 110.205 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.52 -84.71 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.661 -0.649 . . . . 0.0 110.721 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -60.68 158.51 12.51 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.103 -0.998 . . . . 0.0 110.26 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 63' ' ' HIS . 2.4 m-20 52.63 93.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.413 -0.805 . . . . 0.0 110.798 178.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.94 85.7 6.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.702 . . . . 0.0 110.293 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -148.98 128.19 12.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.527 -0.733 . . . . 0.0 110.235 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.14 118.65 10.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.601 -0.687 . . . . 0.0 110.349 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 35' ' ' PHE . 6.6 mt -90.04 -27.85 19.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.545 -0.722 . . . . 0.0 110.253 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -72.08 64.67 0.54 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.062 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -169.42 -39.58 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.445 -0.784 . . . . 0.0 110.27 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -98.29 -16.04 19.54 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.44 -0.788 . . . . 0.0 110.834 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.78 23.4 4.8 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.292 -0.88 . . . . 0.0 110.654 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 9.0 mm -88.39 163.73 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.332 -0.855 . . . . 0.0 109.402 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ASP . 37.5 pt -121.72 -33.01 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.428 -0.795 . . . . 0.0 111.024 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.736 ' HA2' HG13 ' A' ' 4' ' ' VAL . . . -179.06 -162.2 27.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.806 ' CD ' HG11 ' A' ' 4' ' ' VAL . 12.3 mt-10 -118.97 -173.25 2.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.621 -0.929 . . . . 0.0 110.205 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 9' ' ' LEU . 9.0 tt -108.36 150.28 27.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.676 . . . . 0.0 110.079 177.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.36 111.57 4.21 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.611 -0.681 . . . . 0.0 110.147 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.13 -24.01 24.39 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 O-C-N 123.196 1.103 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.24 -28.11 66.39 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.464 -0.773 . . . . 0.0 110.448 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB3' HD22 ' A' ' 9' ' ' LEU . 73.5 m-20 -102.62 -24.68 13.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.566 -0.709 . . . . 0.0 110.434 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -56.54 -64.31 0.91 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.392 -0.818 . . . . 0.0 109.909 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -148.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.801 ' O ' HD13 ' A' ' 87' ' ' ILE . 14.3 mmmm -122.66 -95.13 0.48 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.098 -1.001 . . . . 0.0 109.732 175.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 86' ' ' LYS . 39.9 mm -137.22 72.46 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.931 -1.106 . . . . 0.0 109.933 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.95 82.66 6.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.541 -0.724 . . . . 0.0 110.268 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.39 94.18 23.55 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.635 -0.666 . . . . 0.0 110.167 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.84 110.9 0.52 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 O-C-N 123.392 1.206 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -115.65 144.24 44.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.564 -0.71 . . . . 0.0 110.196 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.88 -26.23 9.03 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.584 -0.698 . . . . 0.0 110.442 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -133.49 85.14 2.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.757 . . . . 0.0 110.196 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.244 178.064 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.132 0.491 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -126.38 97.27 4.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.499 -0.751 . . . . 0.0 110.136 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -101.33 143.64 31.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.614 -0.679 . . . . 0.0 110.228 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.4 t 53.99 103.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.509 -0.744 . . . . 0.0 110.578 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 55.5 tttt -85.49 161.0 19.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.578 -0.701 . . . . 0.0 109.432 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -87.16 93.45 9.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.442 -0.786 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 49.6 m-85 -76.07 -164.05 0.34 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.683 -0.635 . . . . 0.0 109.326 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' ILE . 50.8 p -142.3 148.24 37.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.326 -0.859 . . . . 0.0 110.621 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.8 tp -59.9 -26.79 66.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.698 -0.626 . . . . 0.0 110.379 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.39 -51.27 12.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.547 -0.721 . . . . 0.0 110.407 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -30.93 70.66 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.522 HG22 HD11 ' A' ' 24' ' ' ILE . 45.1 mt -76.88 -29.14 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.95 177.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.91 20.79 4.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.587 -0.695 . . . . 0.0 111.017 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -128.44 29.65 5.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.202 -0.936 . . . . 0.0 110.258 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -124.42 91.61 3.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.61 -0.682 . . . . 0.0 110.161 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -112.87 -31.57 6.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.311 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.89 -156.6 0.12 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.499 -0.751 . . . . 0.0 110.242 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.7 m 52.75 -176.22 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.492 -0.755 . . . . 0.0 110.837 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 36' ' ' LEU . 24.8 ttpp -113.6 19.66 16.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.555 -0.715 . . . . 0.0 110.733 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -98.96 99.29 10.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.283 -0.885 . . . . 0.0 110.293 178.262 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -76.77 124.26 27.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.631 -0.668 . . . . 0.0 110.265 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -102.19 80.95 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.535 -0.728 . . . . 0.0 110.332 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 46' ' ' LEU . 62.3 t -79.54 144.43 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.452 -0.78 . . . . 0.0 109.219 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 12' ' ' ILE . 5.8 mt -114.09 136.3 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.425 -0.797 . . . . 0.0 110.574 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 58' ' ' PHE . 1.8 mm? -104.81 63.51 0.72 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.18 29.03 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' NH1' ' A' ' 84' ' ' ARG . 21.7 t-160 -177.83 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 0.0 109.763 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -82.86 160.57 22.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 110.707 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.65 127.81 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.767 -0.583 . . . . 0.0 109.505 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 16.4 m-85 -103.76 116.84 33.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.636 -0.665 . . . . 0.0 111.123 -176.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' HB2' HD13 ' A' ' 76' ' ' ILE . 19.4 t0 -98.8 73.22 1.99 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -79.75 65.5 4.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.775 -0.578 . . . . 0.0 109.987 -175.879 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 20' ' ' SER . 68.1 p -63.28 -50.57 69.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.73 . . . . 0.0 110.412 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -59.1 -27.92 66.03 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.547 -0.721 . . . . 0.0 110.368 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.734 ' CE1' HG23 ' A' ' 45' ' ' VAL . 22.5 t80 -73.17 -39.49 65.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.565 -0.709 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -57.19 -25.96 59.85 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 110.521 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.53 -29.04 28.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 110.627 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -65.84 0.95 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.357 -0.839 . . . . 0.0 109.988 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CZ ' ' A' ' 35' ' ' PHE . 76.7 m80 -79.83 169.74 18.81 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.481 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.7 -30.15 36.15 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 O-C-N 123.198 1.104 . . . . 0.0 110.579 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 75.23 -61.57 2.66 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 173.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 25.22 27.44 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -145.88 -82.85 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.424 -1.045 . . . . 0.0 110.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -100.31 72.6 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.548 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' CE1' ' A' ' 35' ' ' PHE . 13.5 p -110.28 136.73 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.611 -0.681 . . . . 0.0 110.575 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER 47.44 53.11 11.45 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.519 -0.738 . . . . 0.0 111.555 178.494 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 53.17 34.61 17.85 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.429 -0.795 . . . . 0.0 110.693 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 52.95 48.51 22.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.379 -0.825 . . . . 0.0 110.767 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 52.8 -165.79 0.07 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.452 -0.78 . . . . 0.0 110.764 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.21 128.71 28.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.741 . . . . 0.0 110.224 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.62 -86.99 0.05 OUTLIER Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.69 -91.18 0.03 OUTLIER Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -149.7 -73.13 0.18 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.58 -0.953 . . . . 0.0 110.243 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.62 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.436 -0.79 . . . . 0.0 110.805 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -102.33 28.43 5.92 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -81.83 -28.27 33.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.231 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -163.67 142.66 7.99 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.587 -0.695 . . . . 0.0 110.212 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 25' ' ' LEU . 30.7 m-85 -110.63 -29.28 8.1 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.503 -0.748 . . . . 0.0 110.098 178.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -145.83 68.81 1.21 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 110.107 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.35 93.31 5.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.633 -0.667 . . . . 0.0 110.386 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG13 ' HE ' ' A' ' 68' ' ' ARG . 8.7 p -167.75 126.05 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.588 -0.695 . . . . 0.0 110.147 177.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.49 104.36 0.76 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -168.4 42.34 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.62 -0.929 . . . . 0.0 110.278 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -168.28 31.73 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 110.209 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.39 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.543 -0.723 . . . . 0.0 111.048 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.2 -81.43 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.531 -0.731 . . . . 0.0 110.667 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 168.77 0.9 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.648 ' HE ' HG13 ' A' ' 61' ' ' VAL . 25.3 tpt85 -168.28 -40.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.595 -0.691 . . . . 0.0 110.363 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.78 79.73 0.11 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.566 -0.709 . . . . 0.0 110.181 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -91.22 23.51 3.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.513 -0.742 . . . . 0.0 111.036 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -69.48 73.93 0.37 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.377 -0.827 . . . . 0.0 110.059 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -167.64 -45.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.561 -0.712 . . . . 0.0 110.351 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.8 p -93.84 20.37 7.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.509 -0.745 . . . . 0.0 110.687 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 70' ' ' LEU . 55.6 m-85 -134.01 28.14 3.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.43 -0.794 . . . . 0.0 109.908 177.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.439 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.8 mt -109.72 163.83 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.523 -0.735 . . . . 0.0 110.517 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 31' ' ' ASP . 30.4 pt -124.82 -35.59 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.71 -0.619 . . . . 0.0 110.756 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.54 -167.66 40.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -113.26 153.3 28.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.719 -0.871 . . . . 0.0 110.165 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 84' ' ' ARG . 3.6 pp -74.76 177.71 5.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.569 -0.707 . . . . 0.0 110.483 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.584 ' O ' HD12 ' A' ' 79' ' ' LEU . 13.2 t-80 -79.05 129.71 72.11 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.088 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' ARG . 50.5 Cg_exo -51.76 -24.19 17.55 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 O-C-N 123.194 1.102 . . . . 0.0 111.473 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.25 -28.43 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.391 -0.818 . . . . 0.0 111.113 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.582 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.9 m-20 -117.08 -12.01 10.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.797 . . . . 0.0 111.04 177.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.674 ' HB2' HD11 ' A' ' 79' ' ' LEU . 7.0 tmm_? -61.03 -64.15 1.05 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.476 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -90.31 -92.72 0.13 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.45 -0.781 . . . . 0.0 110.356 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -175.54 59.16 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.752 -1.218 . . . . 0.0 110.136 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.3 mp -79.99 -20.34 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.334 -0.854 . . . . 0.0 110.463 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 68.58 0.44 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.376 -0.827 . . . . 0.0 110.203 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.0 99.18 2.56 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.488 -0.758 . . . . 0.0 109.998 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.29 175.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.375 1.197 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t 53.67 179.98 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.396 -0.815 . . . . 0.0 110.672 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.57 98.06 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.434 -0.791 . . . . 0.0 110.879 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 93' ' ' THR . 53.0 m -158.56 41.94 0.26 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.711 . . . . 0.0 110.173 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.183 178.124 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.161 0.505 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 78' ' ' GLU . 76.9 t 53.64 101.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.401 -0.812 . . . . 0.0 110.639 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -89.61 151.12 22.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 109.768 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.91 85.28 5.56 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.539 -0.726 . . . . 0.0 110.303 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -61.74 -168.69 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.709 . . . . 0.0 109.966 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.3 p -125.79 167.72 14.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.381 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.071 HD12 HD11 ' A' ' 79' ' ' LEU . 3.6 tp -76.11 -35.37 59.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.655 -0.653 . . . . 0.0 110.285 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -69.61 -29.99 67.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.51 -0.744 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.63 -28.95 51.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 79' ' ' LEU . 80.0 mt -88.94 -34.31 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -90.35 48.69 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -150.35 28.88 0.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.489 -0.757 . . . . 0.0 110.208 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 74.9 m-70 -101.66 48.1 0.89 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.591 -0.693 . . . . 0.0 110.253 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -80.6 -29.63 36.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.518 -0.739 . . . . 0.0 110.146 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.95 -157.97 0.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.55 -0.719 . . . . 0.0 110.152 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 52.99 -159.34 0.13 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.422 -0.799 . . . . 0.0 110.78 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -121.76 -155.2 0.63 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.552 -0.718 . . . . 0.0 109.691 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m 53.13 98.53 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.257 -0.902 . . . . 0.0 110.802 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.4 t -75.64 136.82 40.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 110.347 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CH2' HD12 ' A' ' 76' ' ' ILE . 4.8 m95 -107.29 76.64 1.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.58 -0.7 . . . . 0.0 110.13 177.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG11 ' CB ' ' A' ' 46' ' ' LEU . 58.1 t -79.85 166.89 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.717 . . . . 0.0 109.918 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -134.25 138.16 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.702 . . . . 0.0 109.89 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.5 mm? -86.16 -76.2 0.35 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.582 -0.699 . . . . 0.0 109.993 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -125.29 -53.01 1.61 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.477 -0.764 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -141.31 20.65 2.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.7 -0.625 . . . . 0.0 110.231 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -119.03 140.23 50.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.413 -0.805 . . . . 0.0 110.169 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 76' ' ' ILE . 56.9 t -91.79 126.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.61 -0.681 . . . . 0.0 109.749 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -106.45 118.01 35.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 11.2 t0 -95.07 73.74 3.44 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -81.72 57.42 3.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.646 -0.658 . . . . 0.0 110.164 -175.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.2 t -69.4 -25.86 64.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.392 -0.817 . . . . 0.0 110.547 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.48 -26.08 38.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.526 -0.734 . . . . 0.0 110.396 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 72.6 t80 -84.66 -28.97 26.04 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.768 . . . . 0.0 110.192 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 ' HG2' ' A' ' 43' ' ' GLU . 5.8 tt -60.26 -34.09 73.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.55 -0.719 . . . . 0.0 110.238 178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -104.17 28.71 6.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.237 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -110.1 -48.8 3.14 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.583 -0.698 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.416 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 41.1 m80 -115.73 84.48 12.8 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.593 -0.692 . . . . 0.0 110.133 177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.05 91.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 O-C-N 123.408 1.215 . . . . 0.0 111.05 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.04 -46.32 0.07 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.81 36.28 0.23 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG2' HD21 ' A' ' 36' ' ' LEU . 7.5 mt-10 55.53 -87.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.68 -0.894 . . . . 0.0 110.807 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.7 106.49 18.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.084 -1.01 . . . . 0.0 110.355 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.62 26.6 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.361 -0.837 . . . . 0.0 110.481 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.456 -0.777 . . . . 0.0 110.299 177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 . . . . . 0 N--CA 1.493 1.702 0 CA-C-O 121.089 0.471 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' ' CE1' ' A' ' 74' ' ' TYR . 1.2 tt -81.35 -27.41 34.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.568 -0.708 . . . . 0.0 110.306 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -94.54 43.35 1.1 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 0.0 110.205 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.9 tttt -146.11 -67.58 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.57 -0.706 . . . . 0.0 110.154 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.627 HG23 ' CD1' ' A' ' 74' ' ' TYR . 10.8 t -67.05 -12.6 60.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.504 -0.748 . . . . 0.0 111.011 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.627 ' CD1' HG23 ' A' ' 73' ' ' THR . 78.3 m-85 -94.48 25.27 4.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.215 -0.928 . . . . 0.0 110.453 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.5 mt -114.08 164.88 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.36 -0.838 . . . . 0.0 110.403 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.531 HD12 ' CH2' ' A' ' 22' ' ' TRP . 29.1 pt -127.62 -36.7 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.867 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.12 -151.37 9.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' HG13 ' A' ' 4' ' ' VAL . 22.8 mt-10 -120.54 -175.41 3.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.997 . . . . 0.0 110.318 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -109.86 147.12 33.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.597 -0.689 . . . . 0.0 110.162 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.461 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -61.19 112.16 5.39 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.535 -0.728 . . . . 0.0 109.969 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.05 -26.11 24.58 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 O-C-N 123.103 1.054 . . . . 0.0 111.1 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.37 -25.84 64.59 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.587 -0.696 . . . . 0.0 110.527 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.609 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -99.74 -22.64 15.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.469 -0.769 . . . . 0.0 110.724 178.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.676 ' HG2' HD22 ' A' ' 79' ' ' LEU . 5.9 mmm180 -56.11 -172.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.334 -0.854 . . . . 0.0 110.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 m -74.03 76.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.593 -0.692 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.61 75.69 0.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.157 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 87' ' ' ILE . 50.8 mm . . . . . 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.494 1.735 0 CA-C-O 120.907 0.384 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 5' ' ' LYS . 87.0 t 56.79 166.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 121.534 0.683 . . . . 0.0 110.704 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 4' ' ' VAL . 66.1 tttt -144.48 142.32 30.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.575 -0.703 . . . . 0.0 109.649 177.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -79.9 78.89 6.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.558 -0.713 . . . . 0.0 110.346 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -61.76 -168.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.635 -0.666 . . . . 0.0 109.914 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HD12 ' A' ' 12' ' ' ILE . 75.7 p -125.02 177.34 6.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.183 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.681 HD11 HD21 ' A' ' 79' ' ' LEU . 3.9 mp -83.32 -44.25 15.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.611 -0.68 . . . . 0.0 110.169 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.67 -26.95 67.47 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 110.458 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.19 -40.85 21.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.477 -0.765 . . . . 0.0 110.281 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.9 mt -77.47 -26.78 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.595 -0.69 . . . . 0.0 110.217 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.19 49.13 1.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.461 -0.774 . . . . 0.0 110.341 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -159.95 32.47 0.18 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.536 -0.728 . . . . 0.0 110.251 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -121.7 92.96 3.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.541 -0.725 . . . . 0.0 110.206 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -167.7 32.67 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.56 -0.713 . . . . 0.0 110.308 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -168.57 -40.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.566 -0.708 . . . . 0.0 110.256 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 p -82.2 57.91 3.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.465 -0.772 . . . . 0.0 110.333 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 55.85 173.67 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.268 -0.895 . . . . 0.0 110.713 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 t 53.45 179.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.614 -0.679 . . . . 0.0 110.844 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -158.51 133.73 8.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 110.302 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -104.42 75.45 1.24 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.524 -0.735 . . . . 0.0 110.094 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.59 145.04 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.5 -0.75 . . . . 0.0 109.897 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -116.78 138.18 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 0.0 109.797 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.755 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -88.54 -38.21 15.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.605 -0.684 . . . . 0.0 109.909 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -170.08 -39.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.573 -0.704 . . . . 0.0 109.688 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -138.98 -44.29 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.728 -0.607 . . . . 0.0 109.71 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.42 133.64 48.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 110.334 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 128.18 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.694 -0.629 . . . . 0.0 109.522 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.755 ' CE1' HD23 ' A' ' 25' ' ' LEU . 21.6 m-85 -99.69 124.58 45.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.731 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' HB2' HG21 ' A' ' 76' ' ' ILE . 38.9 t70 -98.15 79.22 2.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 170.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.33 48.41 1.63 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.631 -0.668 . . . . 0.0 110.619 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -69.55 -23.99 63.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 0.0 110.426 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -26.73 31.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.469 -0.769 . . . . 0.0 110.276 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.469 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 57.2 t80 -90.52 17.15 7.75 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.463 -0.773 . . . . 0.0 110.971 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 43' ' ' GLU . 1.1 tt -106.52 -29.28 9.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.243 -0.911 . . . . 0.0 110.21 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -97.62 -25.51 15.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.596 -0.69 . . . . 0.0 110.475 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.79 -28.21 40.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.431 -0.793 . . . . 0.0 110.308 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.469 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 28.7 m80 -117.78 82.66 16.88 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.547 -0.721 . . . . 0.0 110.228 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.0 103.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 O-C-N 123.372 1.196 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.455 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -127.02 -44.91 0.23 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.3 90.22 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' HD11 ' A' ' 36' ' ' LEU . 22.4 mt-10 56.28 -86.7 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.588 -0.948 . . . . 0.0 110.765 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.19 96.5 7.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.068 -1.02 . . . . 0.0 110.179 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 46' ' ' LEU . 34.6 m -73.13 -22.95 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.439 -0.788 . . . . 0.0 110.603 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.438 -0.789 . . . . 0.0 110.361 178.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.071 0.462 . . . . 0.0 110.177 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 4.5 tp -81.22 -25.34 36.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.631 -0.668 . . . . 0.0 110.439 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 p -72.06 64.83 0.54 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.498 -0.751 . . . . 0.0 110.04 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -155.23 -46.13 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 110.039 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -100.12 27.26 5.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.585 -0.697 . . . . 0.0 110.105 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -129.61 28.82 5.12 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.56 -0.713 . . . . 0.0 110.034 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.6 mt -110.4 164.55 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.528 -0.732 . . . . 0.0 110.157 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 31' ' ' ASP . 33.9 pt -125.44 -34.66 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.573 -0.704 . . . . 0.0 111.066 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -178.83 -158.58 21.6 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.91 -169.57 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.949 . . . . 0.0 110.225 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.681 HD21 HD11 ' A' ' 9' ' ' LEU . 9.1 tt -106.36 150.8 25.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.577 -0.702 . . . . 0.0 110.115 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -58.78 110.78 2.89 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.527 -0.733 . . . . 0.0 110.256 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.38 -24.1 26.47 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.15 1.079 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -27.31 64.89 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.521 -0.737 . . . . 0.0 110.502 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.84 -28.16 10.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.466 -0.771 . . . . 0.0 110.348 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.524 ' HB2' HD22 ' A' ' 79' ' ' LEU . 2.1 ttp180 -75.74 -41.11 54.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 0.0 110.22 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -154.38 0.28 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.598 -0.689 . . . . 0.0 110.131 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.78 79.13 1.47 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 109.967 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 87' ' ' ILE . 3.3 mp . . . . . 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.308 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.493 1.685 0 CA-C-O 121.129 0.49 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.1 t -143.71 135.3 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.516 -0.74 . . . . 0.0 110.065 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -104.28 145.33 30.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.688 -0.632 . . . . 0.0 109.542 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.78 83.65 5.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.506 -0.747 . . . . 0.0 110.426 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -73.34 135.07 44.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.651 -0.655 . . . . 0.0 109.893 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -74.95 163.64 27.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.529 -0.732 . . . . 0.0 110.358 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.7 tp -78.78 -26.98 44.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.428 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -75.87 -27.69 57.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.482 -0.761 . . . . 0.0 110.371 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 7.1 tt0 -75.13 -39.54 60.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.502 -0.749 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.698 HD12 HD12 ' A' ' 79' ' ' LEU . 80.6 mt -68.06 -26.29 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.503 -0.748 . . . . 0.0 110.242 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.12 48.72 1.6 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 110.407 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.79 28.87 0.27 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.448 -0.782 . . . . 0.0 110.096 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 57.6 m-70 -114.65 -167.17 1.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.304 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -143.87 -167.65 2.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.539 -0.726 . . . . 0.0 110.12 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -105.12 -156.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.534 -0.729 . . . . 0.0 110.208 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.38 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.613 -0.68 . . . . 0.0 110.918 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 33' ' ' THR . 17.6 tttm -58.03 -34.41 70.03 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.22 -0.925 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -168.0 166.66 13.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.506 -0.746 . . . . 0.0 110.26 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.724 ' HB ' HD11 ' A' ' 36' ' ' LEU . 8.5 t -140.96 122.19 14.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.532 -0.73 . . . . 0.0 110.466 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.481 ' CE3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -99.39 98.24 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 0.0 109.991 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 46' ' ' LEU . 58.1 t -103.43 127.75 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.564 -0.71 . . . . 0.0 110.382 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 25' ' ' LEU . 40.7 mm -85.78 149.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.544 -0.722 . . . . 0.0 110.132 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -126.0 -76.97 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.557 -0.714 . . . . 0.0 109.633 177.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 15.7 p80 -135.79 91.58 2.72 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.478 -0.764 . . . . 0.0 109.338 174.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 23.3 t-160 55.22 22.02 4.42 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.426 -0.797 . . . . 0.0 110.506 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -127.55 149.82 49.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.384 -0.822 . . . . 0.0 110.013 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CE3' ' A' ' 22' ' ' TRP . 48.8 t -111.54 133.75 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.011 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.475 ' HB3' HD11 ' A' ' 32' ' ' LEU . 12.8 m-85 -106.65 136.17 46.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.603 -0.686 . . . . 0.0 111.07 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.631 ' HB2' HG21 ' A' ' 76' ' ' ILE . 19.9 t70 -110.04 84.03 1.86 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -91.79 44.12 1.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.682 -0.636 . . . . 0.0 110.723 -174.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.0 m -68.93 -31.24 69.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 0.0 109.957 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -73.56 -29.09 62.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.573 -0.704 . . . . 0.0 110.042 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -85.03 -27.32 26.46 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.514 -0.742 . . . . 0.0 109.879 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB ' ' A' ' 21' ' ' THR . 3.9 mt -58.44 -35.64 72.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.558 -0.713 . . . . 0.0 110.232 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.65 23.42 6.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.562 -0.711 . . . . 0.0 110.53 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -106.71 -56.26 2.22 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.463 -0.773 . . . . 0.0 109.976 177.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CE1' ' OE2' ' A' ' 38' ' ' GLU . 52.9 m80 -113.73 91.05 20.06 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.32 92.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 O-C-N 123.433 1.228 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 -60.67 0.82 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.53 -29.97 0.31 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 45' ' ' VAL . 15.1 pt-20 -164.41 -156.41 0.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.601 -0.94 . . . . 0.0 109.95 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.31 101.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.375 -0.828 . . . . 0.0 110.21 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 43' ' ' GLU . 35.4 m -92.1 19.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.554 -0.716 . . . . 0.0 111.005 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 32' ' ' LEU . 1.4 mp . . . . . 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.0 110.094 176.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.035 0.445 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -28.71 32.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.587 -0.695 . . . . 0.0 110.278 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.4 p -82.27 -21.27 36.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.568 -0.707 . . . . 0.0 110.676 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -87.71 -20.44 26.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.404 -0.81 . . . . 0.0 110.997 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 p -99.47 -24.13 14.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.373 -0.829 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -92.19 44.77 1.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 110.484 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 71' ' ' SER . 51.9 mt -119.25 163.99 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.433 -0.792 . . . . 0.0 110.038 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.5 pt -126.6 -36.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.509 -0.745 . . . . 0.0 111.218 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -172.57 -148.69 6.36 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 35.0 mt-10 -133.29 -174.87 3.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.582 -0.952 . . . . 0.0 110.625 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.698 HD12 HD12 ' A' ' 12' ' ' ILE . 2.0 tp -100.53 150.12 23.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.597 -0.689 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -72.09 129.09 88.28 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.478 -0.764 . . . . 0.0 109.98 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 -21.25 23.5 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.217 1.114 . . . . 0.0 111.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -49.91 -48.22 51.76 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.298 -0.876 . . . . 0.0 111.486 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.648 ' HB3' HD22 ' A' ' 9' ' ' LEU . 6.6 m-20 -94.29 -26.99 16.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.458 -0.776 . . . . 0.0 110.423 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.447 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 5.5 ttp85 -61.74 -157.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.456 -0.778 . . . . 0.0 110.041 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -61.57 88.27 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.701 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 47.55 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.554 -0.717 . . . . 0.0 110.197 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.9 mm . . . . . 0 N--CA 1.494 1.76 0 O-C-N 121.524 -0.735 . . . . 0.0 110.028 178.253 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 . . . . . 0 N--CA 1.493 1.722 0 CA-C-O 120.983 0.421 . . . . 0.0 110.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.484 HG11 ' CD ' ' A' ' 78' ' ' GLU . 78.5 t 56.86 166.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.489 0.661 . . . . 0.0 110.735 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 4' ' ' VAL . 8.3 tttt -137.32 -154.38 0.54 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.737 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.11 79.58 1.76 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 110.262 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.6 -165.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.633 -0.667 . . . . 0.0 109.987 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -121.43 172.36 8.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.52 -0.737 . . . . 0.0 110.45 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.001 HD12 HD11 ' A' ' 79' ' ' LEU . 2.6 tp -78.09 -30.7 49.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.651 -0.656 . . . . 0.0 110.188 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.97 -29.13 66.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -80.53 -28.4 37.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.974 HG21 HD11 ' A' ' 24' ' ' ILE . 72.6 mt -90.21 -30.01 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.546 -0.721 . . . . 0.0 109.989 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -90.31 48.91 1.61 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.312 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 15' ' ' HIS . 32.2 pttt -154.4 29.41 0.44 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.725 . . . . 0.0 110.259 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 72.0 m-70 -119.67 30.71 6.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.517 -0.739 . . . . 0.0 110.222 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -94.73 42.89 1.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.176 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -167.86 -41.03 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.575 -0.703 . . . . 0.0 110.176 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -62.87 -159.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.509 -0.745 . . . . 0.0 110.078 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -104.49 -28.68 11.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 0.0 110.316 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.867 ' HA ' HG22 ' A' ' 33' ' ' THR . 15.4 m -83.57 104.71 13.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 110.247 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' THR . 9.6 t -79.97 118.53 21.8 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.572 -0.705 . . . . 0.0 110.457 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 6.7 m95 -95.33 73.5 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.521 -0.737 . . . . 0.0 109.911 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG23 ' OG1' ' A' ' 21' ' ' THR . 66.2 t -87.35 160.05 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.546 -0.721 . . . . 0.0 110.042 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.974 HD11 HG21 ' A' ' 12' ' ' ILE . 4.3 mt -121.2 144.9 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.548 -0.72 . . . . 0.0 109.897 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -113.43 -73.31 0.67 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.48 -0.763 . . . . 0.0 110.052 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -119.59 81.57 1.74 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.528 -0.732 . . . . 0.0 109.765 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 54.71 22.66 4.24 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.405 -0.809 . . . . 0.0 110.607 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -122.95 140.05 53.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.465 -0.772 . . . . 0.0 109.811 177.412 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.663 HG12 HD11 ' A' ' 76' ' ' ILE . 43.6 t -91.14 126.66 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.516 -0.74 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -107.68 129.78 54.98 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.675 -0.64 . . . . 0.0 111.051 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.3 t0 -102.46 77.73 1.66 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 170.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -84.13 54.62 3.01 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.69 -0.632 . . . . 0.0 110.372 -174.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 20' ' ' SER . 76.7 p -63.74 -58.43 6.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.357 -0.839 . . . . 0.0 110.322 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -58.54 -20.12 43.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.586 -0.696 . . . . 0.0 110.847 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.4 t80 -71.8 -28.35 63.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.315 -0.866 . . . . 0.0 110.284 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 36' ' ' LEU . 5.4 mt -68.15 -27.37 66.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.643 -0.66 . . . . 0.0 110.273 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.27 -27.92 14.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.562 -0.711 . . . . 0.0 110.428 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.71 -28.25 33.54 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.507 -0.746 . . . . 0.0 110.357 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.493 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 48.3 m80 -122.54 96.71 45.48 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.551 -0.718 . . . . 0.0 110.305 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.97 102.48 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 123.38 1.2 . . . . 0.0 111.009 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.14 -94.29 0.12 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 45' ' ' VAL . . . 98.83 -68.89 0.61 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.25 -28.21 69.0 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.989 . . . . 0.0 110.246 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.58 -54.3 4.35 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.673 . . . . 0.0 110.276 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 42' ' ' GLY . 32.6 m -60.49 167.08 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.538 -0.726 . . . . 0.0 110.232 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 32' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.498 1.971 0 O-C-N 121.541 -0.724 . . . . 0.0 111.401 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.501 2.111 0 CA-C-O 121.121 0.486 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 ' CE2' ' A' ' 35' ' ' PHE . 11.0 mt -90.13 -27.19 19.78 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.582 -0.699 . . . . 0.0 110.385 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 p -71.94 64.49 0.51 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -168.51 -57.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.518 -0.739 . . . . 0.0 110.182 178.085 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -79.78 -18.39 51.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.535 -0.728 . . . . 0.0 110.709 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -94.69 36.52 1.17 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.471 -0.768 . . . . 0.0 110.41 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.0 mt -112.5 165.71 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.487 -0.758 . . . . 0.0 110.027 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.663 HD11 HG12 ' A' ' 29' ' ' VAL . 31.7 pt -125.74 -35.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.534 -0.729 . . . . 0.0 111.026 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.95 -161.14 25.61 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' CD ' HG11 ' A' ' 4' ' ' VAL . 5.1 mt-10 -107.87 -174.99 2.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.955 . . . . 0.0 110.083 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 9' ' ' LEU . 8.3 tt -113.62 144.06 43.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.46 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.78 112.17 5.25 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.542 -0.724 . . . . 0.0 110.02 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.11 -24.67 20.66 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 O-C-N 123.119 1.063 . . . . 0.0 111.212 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.9 t70 -60.76 -28.34 68.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.56 -0.713 . . . . 0.0 110.215 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.655 ' HB3' HD13 ' A' ' 9' ' ' LEU . 10.2 m-20 -93.96 -22.22 18.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.59 -0.694 . . . . 0.0 110.633 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 79' ' ' LEU . 1.4 mmm180 -53.45 -63.18 1.23 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.35 -0.844 . . . . 0.0 110.479 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -69.43 -66.08 0.63 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.584 -0.697 . . . . 0.0 109.572 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -76.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.554 -0.716 . . . . 0.0 109.409 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.435 ' HA ' HD13 ' A' ' 87' ' ' ILE . 19.9 mm . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.568 -0.708 . . . . 0.0 109.108 176.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 N--CA 1.494 1.768 0 CA-C-O 121.095 0.474 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 78' ' ' GLU . 82.3 t 53.79 102.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.49 -0.756 . . . . 0.0 110.649 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -154.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.784 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 81' ' ' PRO . 7.6 m-85 -128.35 90.11 3.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' HG13 ' A' ' 76' ' ' ILE . 41.2 m-85 -74.78 136.73 41.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.631 -0.668 . . . . 0.0 110.044 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.6 p -79.86 167.49 20.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.69 . . . . 0.0 110.224 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 79' ' ' LEU . 7.8 tp -77.6 -27.99 51.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.599 -0.688 . . . . 0.0 110.283 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 -28.6 56.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.518 -0.739 . . . . 0.0 110.267 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.43 -34.47 41.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.504 -0.748 . . . . 0.0 110.225 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.414 HD13 HD12 ' A' ' 79' ' ' LEU . 73.2 mt -79.38 -29.18 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.49 -0.756 . . . . 0.0 109.951 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -90.85 20.02 5.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.506 -0.746 . . . . 0.0 110.976 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -136.32 49.1 2.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.333 -0.855 . . . . 0.0 110.25 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.2 m-70 -121.01 65.46 0.86 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.613 -0.679 . . . . 0.0 110.148 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 73.23 0.33 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.561 -0.712 . . . . 0.0 110.263 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -114.24 167.14 10.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.49 -0.756 . . . . 0.0 110.197 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 t -112.93 -32.93 6.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.572 -0.705 . . . . 0.0 110.236 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.59 19.22 10.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.593 -0.692 . . . . 0.0 110.737 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -152.78 152.9 32.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -147.16 125.96 12.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 0.0 110.334 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.4 m95 -94.08 82.07 4.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.609 -0.682 . . . . 0.0 110.113 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 24' ' ' ILE . 62.2 t -79.63 167.78 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.602 -0.686 . . . . 0.0 109.671 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -137.23 137.66 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.776 . . . . 0.0 109.938 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 30' ' ' TYR . 1.7 mm? -90.45 -60.56 1.89 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.601 -0.687 . . . . 0.0 109.703 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -152.13 -45.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.657 -0.652 . . . . 0.0 109.506 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 11.9 t-160 -129.65 -41.74 1.33 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.719 -0.613 . . . . 0.0 110.216 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -71.53 137.87 48.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.53 -0.731 . . . . 0.0 110.561 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.7 132.58 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.73 -0.607 . . . . 0.0 109.506 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB3' HD11 ' A' ' 32' ' ' LEU . 19.4 m-85 -103.2 119.98 39.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.574 -0.704 . . . . 0.0 111.13 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.485 ' HB2' HD13 ' A' ' 76' ' ' ILE . 27.7 t0 -101.16 74.64 1.59 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.5 57.59 3.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.597 -0.689 . . . . 0.0 110.181 -175.255 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -68.31 -25.51 65.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.436 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -79.95 -28.16 39.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 70' ' ' LEU . 88.0 t80 -79.94 -34.06 39.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.959 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.6 tt -58.73 -32.55 69.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.548 -0.72 . . . . 0.0 110.245 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -96.04 25.08 5.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 0.0 110.359 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -118.18 -51.27 2.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.973 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -119.01 150.17 48.22 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.596 -0.69 . . . . 0.0 109.83 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.42 102.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.315 1.166 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.786 ' HA3' HG11 ' A' ' 45' ' ' VAL . . . -158.02 109.74 0.41 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.15 -49.13 74.52 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -171.03 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.435 -1.038 . . . . 0.0 110.789 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.06 72.15 1.66 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.35 -0.844 . . . . 0.0 111.065 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.786 HG11 ' HA3' ' A' ' 41' ' ' GLY . 26.9 m -114.37 -26.77 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.38 -0.825 . . . . 0.0 110.638 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 110.028 177.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.493 1.683 0 CA-C-O 121.024 0.44 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 35' ' ' PHE . 1.4 pt? -90.23 16.58 8.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 111.01 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -85.76 55.54 3.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.281 -0.887 . . . . 0.0 110.154 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -143.64 -44.81 0.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.8 p -96.37 26.49 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.565 -0.71 . . . . 0.0 110.318 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -128.4 28.37 5.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.442 -0.786 . . . . 0.0 110.132 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.438 HG12 ' CE2' ' A' ' 30' ' ' TYR . 66.1 mt -114.8 161.01 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.464 -0.773 . . . . 0.0 110.235 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' A' ' 31' ' ' ASP . 35.8 pt -124.17 -33.66 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.584 -0.697 . . . . 0.0 111.094 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.47 -157.99 22.22 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.516 ' HG3' HG13 ' A' ' 4' ' ' VAL . 14.6 mt-10 -115.78 177.99 4.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.514 -0.992 . . . . 0.0 110.207 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -93.33 170.32 9.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD23 ' A' ' 79' ' ' LEU . 9.9 t-80 -79.4 127.8 77.43 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.581 -0.699 . . . . 0.0 110.181 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD3' ' CE1' ' A' ' 6' ' ' TYR . 50.6 Cg_exo -53.48 -23.51 25.02 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.109 1.057 . . . . 0.0 111.256 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.12 -60.04 4.19 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.414 -0.804 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.614 ' HB3' HD22 ' A' ' 9' ' ' LEU . 3.9 m-20 -79.89 -35.95 37.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.437 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HB2' HD22 ' A' ' 79' ' ' LEU . 7.5 ttt-85 -61.14 -41.78 97.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.644 -0.66 . . . . 0.0 110.212 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.638 ' HB2' HD12 ' A' ' 87' ' ' ILE . 4.4 m -89.97 -27.19 19.95 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.583 -0.698 . . . . 0.0 110.325 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.6 tttm 53.65 77.33 0.18 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.334 -0.854 . . . . 0.0 110.693 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.708 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.814 0 O-C-N 121.631 -0.668 . . . . 0.0 110.178 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.113 0.482 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.3 t 53.66 102.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 110.682 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HE3' ' CE1' ' A' ' 7' ' ' TYR . 16.2 ttpp -83.44 149.86 26.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -79.89 87.75 5.32 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.327 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 5' ' ' LYS . 31.3 m-85 -61.63 -168.32 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.637 . . . . 0.0 110.014 177.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.8 p -118.8 155.9 30.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.525 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 79' ' ' LEU . 7.1 tp -75.56 -25.33 57.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.713 -0.617 . . . . 0.0 110.596 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.27 -23.66 43.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.451 -0.781 . . . . 0.0 110.774 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -86.15 -26.89 24.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.609 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 HD12 ' A' ' 79' ' ' LEU . 46.6 mt -74.62 -54.69 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.453 -0.779 . . . . 0.0 110.226 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -90.01 48.66 1.6 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.503 -0.748 . . . . 0.0 110.653 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -164.95 55.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.536 -0.728 . . . . 0.0 110.234 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -101.72 119.2 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.593 -0.692 . . . . 0.0 110.243 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -107.15 28.76 7.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.606 -0.684 . . . . 0.0 110.337 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -95.37 -27.23 15.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.694 . . . . 0.0 110.351 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.9 t 53.37 27.31 6.16 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.343 -0.848 . . . . 0.0 110.709 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -116.93 -37.37 3.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.531 -0.73 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -111.16 -175.54 2.73 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.171 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -140.24 122.77 16.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.518 -0.739 . . . . 0.0 110.291 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.403 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.3 m95 -100.47 77.68 1.95 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.548 -0.72 . . . . 0.0 110.09 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 46' ' ' LEU . 57.7 t -85.0 151.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.571 -0.705 . . . . 0.0 110.014 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -120.13 137.29 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 177.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm? -109.05 -74.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.509 -0.744 . . . . 0.0 110.034 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 13.2 p80 -122.38 82.88 2.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 109.792 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 55.07 22.42 4.48 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.33 -0.856 . . . . 0.0 110.549 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -122.4 134.18 54.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.474 -0.766 . . . . 0.0 109.793 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 76' ' ' ILE . 46.8 t -90.46 128.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.594 -0.691 . . . . 0.0 109.768 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 32' ' ' LEU . 14.7 m-30 -107.2 137.1 45.89 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.518 -0.739 . . . . 0.0 110.673 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.626 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.6 t70 -105.25 77.85 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' CB ' ' A' ' 30' ' ' TYR . 1.1 mp -92.34 45.2 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.642 -0.661 . . . . 0.0 110.147 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -67.84 -26.65 66.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.464 -0.773 . . . . 0.0 110.395 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 11.8 tttt -80.13 -28.9 38.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.006 177.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.784 ' CD1' HD11 ' A' ' 70' ' ' LEU . 81.1 t80 -72.62 -29.62 63.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.649 -0.657 . . . . 0.0 109.977 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -65.54 -29.27 69.88 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 177.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.42 -27.75 19.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.594 -0.691 . . . . 0.0 110.325 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.95 -31.13 39.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 110.147 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -112.36 94.74 28.17 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.139 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.95 91.36 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 O-C-N 123.428 1.225 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -123.29 -42.99 0.37 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.96 -53.93 0.78 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mt-10 -164.01 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.605 -0.938 . . . . 0.0 110.031 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -84.13 92.81 8.0 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.601 -0.687 . . . . 0.0 110.16 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.541 HG12 ' HA3' ' A' ' 41' ' ' GLY . 34.7 m -104.69 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 110.512 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.672 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.461 -0.774 . . . . 0.0 110.147 177.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 . . . . . 0 N--CA 1.501 2.12 0 CA-C-O 121.056 0.455 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -90.11 54.26 2.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.52 -0.737 . . . . 0.0 110.327 177.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.9 p -99.33 -26.76 14.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.593 -0.692 . . . . 0.0 110.303 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.738 ' HA ' HD11 ' A' ' 75' ' ' ILE . 6.3 ptmt -81.83 -22.81 36.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 110.858 178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' CD1' ' A' ' 74' ' ' TYR . 8.8 t -93.04 -23.05 18.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.935 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.739 ' CD1' HG23 ' A' ' 73' ' ' THR . 3.1 m-85 -99.48 51.39 0.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.428 -0.795 . . . . 0.0 110.411 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.738 HD11 ' HA ' ' A' ' 72' ' ' LYS . 49.9 mt -116.05 166.85 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.507 -0.745 . . . . 0.0 110.362 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 31' ' ' ASP . 28.8 pt -130.6 -36.96 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.622 -0.674 . . . . 0.0 110.919 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.16 -152.19 9.71 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 4' ' ' VAL . 26.7 mt-10 -125.23 -174.7 3.12 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.504 -0.998 . . . . 0.0 110.426 177.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 HD12 ' A' ' 9' ' ' LEU . 8.6 tt -103.5 158.14 16.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.633 -0.667 . . . . 0.0 110.123 176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.467 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -78.55 114.24 41.51 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.598 -0.688 . . . . 0.0 110.162 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.81 -24.11 22.77 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 O-C-N 123.171 1.09 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.71 -25.57 63.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.548 -0.72 . . . . 0.0 110.638 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 9' ' ' LEU . 72.4 m-20 -108.24 -28.51 9.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 110.266 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -65.52 0.68 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.857 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -71.26 -150.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.6 -0.687 . . . . 0.0 109.324 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.888 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -97.48 -79.59 0.46 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.925 . . . . 0.0 109.529 176.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 86' ' ' LYS . 21.7 mm . . . . . 0 N--CA 1.497 1.886 0 O-C-N 121.475 -0.766 . . . . 0.0 109.86 177.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 121.097 0.475 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.52 HG11 ' OE1' ' A' ' 78' ' ' GLU . 70.9 t -83.89 139.89 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.079 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 7' ' ' TYR . 14.9 ptmt -116.53 -161.92 0.82 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.695 -0.628 . . . . 0.0 109.735 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HD3' ' A' ' 81' ' ' PRO . 21.9 m-85 -122.34 86.91 2.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.509 -0.745 . . . . 0.0 110.337 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 5' ' ' LYS . 33.8 m-85 -61.63 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.612 -0.68 . . . . 0.0 110.128 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 12' ' ' ILE . 73.0 p -119.16 159.68 23.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.568 -0.707 . . . . 0.0 110.27 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 79' ' ' LEU . 11.8 tp -80.76 -27.12 36.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.528 -0.732 . . . . 0.0 110.424 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.79 -27.99 61.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.505 -0.747 . . . . 0.0 110.292 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -81.57 -41.48 21.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.564 -0.71 . . . . 0.0 110.397 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 79' ' ' LEU . 59.9 mt -64.96 -26.27 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.559 -0.713 . . . . 0.0 110.132 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.07 23.44 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.461 -0.774 . . . . 0.0 111.011 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -166.81 73.59 0.14 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 110.264 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 28.1 m-70 -110.94 140.28 45.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.516 -0.74 . . . . 0.0 110.256 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -148.38 75.55 1.33 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.556 -0.715 . . . . 0.0 110.092 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -117.43 -144.07 0.38 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.479 -0.763 . . . . 0.0 110.147 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -71.34 63.54 0.37 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.296 -0.878 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 52.41 22.83 2.22 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.244 -0.91 . . . . 0.0 111.484 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t -63.93 178.58 0.62 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.437 -0.789 . . . . 0.0 110.116 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.595 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.5 t -140.82 119.75 12.68 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.519 -0.738 . . . . 0.0 110.299 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.5 m95 -93.65 84.59 4.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.499 -0.75 . . . . 0.0 110.078 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 24' ' ' ILE . 60.9 t -79.52 167.6 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.579 -0.701 . . . . 0.0 109.416 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.9 mp -132.7 137.25 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.519 -0.738 . . . . 0.0 110.377 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -101.01 -152.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.698 -0.626 . . . . 0.0 109.358 176.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.21 -23.47 8.67 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.321 -0.862 . . . . 0.0 110.897 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 22.2 t-160 -168.21 -38.87 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.803 . . . . 0.0 110.796 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -66.14 144.16 56.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.726 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 75' ' ' ILE . 83.4 t -95.02 140.06 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.504 -0.747 . . . . 0.0 109.529 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.566 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -112.42 124.63 52.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.0 111.193 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.5 t70 -104.05 78.89 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -85.09 53.55 2.78 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.687 -0.633 . . . . 0.0 110.493 -175.52 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.9 t -69.79 -24.88 63.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.378 -0.826 . . . . 0.0 110.435 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -81.16 -25.87 36.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.422 -0.798 . . . . 0.0 110.468 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 35.6 t80 -88.73 -32.21 18.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.269 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -60.61 -26.22 66.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.6 -0.688 . . . . 0.0 110.406 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.34 -22.99 14.89 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.449 -0.782 . . . . 0.0 110.701 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -79.71 -28.02 40.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.355 -0.84 . . . . 0.0 110.291 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 51.1 m80 -127.31 82.28 68.49 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.523 -0.736 . . . . 0.0 110.232 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.03 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.36 0 O-C-N 123.369 1.194 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.5 -34.32 2.11 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.84 78.69 0.25 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 55.81 -86.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.699 -0.883 . . . . 0.0 110.903 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 73.42 0.33 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.132 -0.98 . . . . 0.0 110.315 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 HD12 ' A' ' 46' ' ' LEU . 35.1 m -75.43 -20.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.54 -0.725 . . . . 0.0 110.84 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HG23 ' A' ' 45' ' ' VAL . 1.5 mp . . . . . 0 N--CA 1.495 1.795 0 O-C-N 121.344 -0.848 . . . . 0.0 110.404 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 . . . . . 0 N--CA 1.494 1.729 0 CA-C-O 121.126 0.488 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -83.78 -25.61 30.31 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.549 -0.719 . . . . 0.0 110.388 177.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -71.62 66.25 0.51 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.507 -0.746 . . . . 0.0 110.182 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -159.61 -49.3 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 110.204 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -96.68 26.31 4.58 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.52 -0.737 . . . . 0.0 110.379 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -133.36 33.62 3.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.417 -0.802 . . . . 0.0 110.02 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 54.2 mt -112.46 158.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.575 -0.703 . . . . 0.0 109.949 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 31' ' ' ASP . 38.7 pt -120.48 -32.52 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.547 -0.72 . . . . 0.0 110.9 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.3 11.66 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.52 ' OE1' HG11 ' A' ' 4' ' ' VAL . 3.2 mt-10 -124.22 178.88 5.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.512 -0.993 . . . . 0.0 110.047 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.944 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -98.54 152.03 20.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.569 -0.707 . . . . 0.0 110.126 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' O ' HD23 ' A' ' 79' ' ' LEU . 17.3 t-80 -60.21 124.06 75.91 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.668 -0.645 . . . . 0.0 110.317 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 50.0 Cg_exo -53.16 -23.73 23.62 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 O-C-N 123.04 1.021 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.31 -39.62 79.85 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.441 -0.787 . . . . 0.0 110.482 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.487 ' O ' HD11 ' A' ' 87' ' ' ILE . 3.6 m-20 -95.33 -25.98 16.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.552 -0.718 . . . . 0.0 110.338 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.685 ' HB2' HD22 ' A' ' 79' ' ' LEU . 5.8 tpm_? -86.82 -67.06 0.84 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.266 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -90.17 -169.68 2.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 37.19 52.37 1.15 Allowed 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 83' ' ' ASP . 50.1 mm . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.972 177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.07 0.462 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.854 HG11 ' CD ' ' A' ' 78' ' ' GLU . 89.7 t -82.27 144.81 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.554 -0.716 . . . . 0.0 110.126 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -114.24 145.59 41.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.686 -0.634 . . . . 0.0 109.656 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -79.84 85.78 5.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.497 -0.752 . . . . 0.0 110.211 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HD2' HG21 ' A' ' 29' ' ' VAL . 29.6 m-85 -61.92 -164.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.623 -0.673 . . . . 0.0 110.044 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -135.42 -177.03 4.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.491 -0.755 . . . . 0.0 110.339 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 83' ' ' ASP . 2.3 mp -84.94 -49.14 8.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.621 -0.674 . . . . 0.0 110.282 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -26.96 66.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.627 -0.67 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.83 -43.79 29.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.513 -0.742 . . . . 0.0 110.407 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.796 HG21 HD11 ' A' ' 24' ' ' ILE . 79.4 mt -79.25 -23.05 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.542 -0.724 . . . . 0.0 110.413 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.53 19.6 5.19 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.345 -0.847 . . . . 0.0 111.015 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -122.94 28.42 7.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.304 -0.873 . . . . 0.0 110.158 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.64 97.79 7.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.558 -0.714 . . . . 0.0 110.175 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -74.23 -29.33 61.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.556 -0.715 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -167.85 -64.35 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.64 -0.662 . . . . 0.0 110.179 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p 49.97 26.46 2.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.521 -0.737 . . . . 0.0 111.118 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.41 -67.1 0.16 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.54 -0.725 . . . . 0.0 110.711 178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 p -60.54 -171.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.371 -0.83 . . . . 0.0 110.328 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -144.95 124.29 13.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.64 -0.663 . . . . 0.0 110.379 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -98.86 75.91 2.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 110.225 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.57 133.35 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.471 -0.768 . . . . 0.0 109.943 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.796 HD11 HG21 ' A' ' 12' ' ' ILE . 7.7 mt -104.41 137.9 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.532 -0.73 . . . . 0.0 109.837 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -91.15 -77.37 0.42 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.624 -0.673 . . . . 0.0 109.894 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -128.84 -41.46 1.47 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.768 . . . . 0.0 110.1 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 23.4 t-160 -150.22 22.17 0.85 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 176.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -126.37 144.21 50.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.811 . . . . 0.0 110.304 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG21 ' HD2' ' A' ' 7' ' ' TYR . 49.7 t -100.36 119.59 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.61 -0.681 . . . . 0.0 109.644 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.785 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -100.51 130.39 46.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 110.982 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 25.5 t70 -102.82 78.98 1.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 170.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 46' ' ' LEU . 1.2 mp -90.58 46.08 1.31 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.642 -0.662 . . . . 0.0 110.488 -174.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -69.16 -24.54 64.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.486 -0.759 . . . . 0.0 110.406 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -81.92 -27.86 33.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.124 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD1' HD11 ' A' ' 46' ' ' LEU . 26.8 t80 -76.38 -29.78 57.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.49 -0.756 . . . . 0.0 109.887 177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.782 HD21 ' HG2' ' A' ' 43' ' ' GLU . 2.9 tt -61.26 -30.74 70.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.594 -0.691 . . . . 0.0 110.168 178.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -111.6 25.29 11.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.564 -0.71 . . . . 0.0 110.613 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.29 -40.96 5.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.539 -0.726 . . . . 0.0 110.11 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -120.67 81.82 33.25 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.572 -0.705 . . . . 0.0 110.169 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.74 92.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.376 1.198 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.14 40.91 0.05 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.01 125.86 2.52 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HG2' HD21 ' A' ' 36' ' ' LEU . 6.1 mt-10 -95.03 -29.09 14.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.99 . . . . 0.0 110.275 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -100.2 54.08 0.9 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.58 -0.7 . . . . 0.0 110.323 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.62 24.59 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.506 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.954 HD12 HD22 ' A' ' 32' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.439 -0.788 . . . . 0.0 109.883 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 120.992 0.425 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD21 ' HD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -91.14 49.55 1.64 Allowed 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.481 176.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.71 ' O ' HD11 ' A' ' 75' ' ' ILE . 5.2 p -96.42 27.74 3.64 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.515 -0.741 . . . . 0.0 110.264 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -120.77 -42.86 2.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 110.077 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.0 p -97.41 28.03 3.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.509 -0.745 . . . . 0.0 110.204 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.22 28.4 2.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.564 -0.71 . . . . 0.0 110.099 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.71 HD11 ' O ' ' A' ' 71' ' ' SER . 76.1 mt -116.65 158.58 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.49 -0.756 . . . . 0.0 110.408 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 31' ' ' ASP . 4.0 pt -117.14 -24.83 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.681 -0.637 . . . . 0.0 110.829 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.641 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.0 -152.73 12.53 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.854 ' CD ' HG11 ' A' ' 4' ' ' VAL . 17.5 mt-10 -133.19 -171.01 2.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.967 . . . . 0.0 110.206 177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 9' ' ' LEU . 63.8 tp -106.55 159.11 16.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.703 . . . . 0.0 110.038 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.44 119.25 76.52 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.537 -0.727 . . . . 0.0 110.032 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.97 -23.76 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 O-C-N 123.076 1.04 . . . . 0.0 111.184 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HA ' HD13 ' A' ' 87' ' ' ILE . 2.5 t70 -57.71 -53.35 59.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.396 -0.815 . . . . 0.0 110.653 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB3' HD13 ' A' ' 9' ' ' LEU . 48.0 m-20 -80.64 -39.27 27.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD23 ' A' ' 79' ' ' LEU . 5.1 ttt-85 -61.37 -44.61 96.87 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.589 -0.694 . . . . 0.0 110.248 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -89.43 -156.35 0.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.537 -0.727 . . . . 0.0 110.221 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.94 76.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.557 -0.714 . . . . 0.0 110.104 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp . . . . . 0 N--CA 1.495 1.802 0 O-C-N 121.576 -0.703 . . . . 0.0 109.934 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.475 ' C ' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.03 0.443 . . . . 0.0 110.242 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 78' ' ' GLU . 79.6 t -150.03 123.6 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.611 -0.681 . . . . 0.0 110.023 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -116.3 155.02 29.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.616 -0.678 . . . . 0.0 109.845 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.96 93.26 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.526 -0.734 . . . . 0.0 110.433 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.767 ' CE2' HD12 ' A' ' 76' ' ' ILE . 10.4 m-85 -69.96 -168.9 0.23 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.701 -0.624 . . . . 0.0 109.906 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 12' ' ' ILE . 77.7 p -126.23 154.1 43.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.718 . . . . 0.0 110.347 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.016 HD12 HD11 ' A' ' 79' ' ' LEU . 3.2 tp -67.53 -27.32 66.87 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -73.71 -26.8 60.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.516 -0.74 . . . . 0.0 110.567 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.78 -27.63 33.65 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.484 -0.76 . . . . 0.0 110.477 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.951 HD13 HD12 ' A' ' 79' ' ' LEU . 7.8 mt -88.47 -25.61 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.598 -0.688 . . . . 0.0 110.342 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.29 48.32 1.54 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -169.42 52.34 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.51 -0.743 . . . . 0.0 110.31 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.488 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 31.7 m-70 -122.43 102.44 8.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.616 -0.678 . . . . 0.0 110.281 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -168.85 53.73 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.504 -0.747 . . . . 0.0 110.19 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -136.56 -44.3 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.555 -0.715 . . . . 0.0 110.321 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -96.94 30.85 2.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.342 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt 54.08 22.2 3.37 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 111.113 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -89.57 170.4 10.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.442 -0.787 . . . . 0.0 110.104 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -144.28 117.96 9.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.539 -0.725 . . . . 0.0 110.408 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 4.7 m0 -92.03 81.4 5.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.564 -0.71 . . . . 0.0 110.103 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 24' ' ' ILE . 91.6 t -79.7 168.65 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.567 -0.708 . . . . 0.0 109.454 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 4.8 mp -136.8 136.22 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.392 -0.817 . . . . 0.0 110.562 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 HD22 ' C ' ' A' ' 24' ' ' ILE . 4.6 mm? -110.43 77.56 1.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 14.5 m-70 55.84 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.529 -0.732 . . . . 0.0 110.098 -177.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 67.88 -62.59 0.34 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.659 -0.65 . . . . 0.0 110.938 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' ILE . 27.3 mttp -57.14 136.86 56.41 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.326 -0.859 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 75' ' ' ILE . 64.9 t -105.81 148.34 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.486 -0.759 . . . . 0.0 109.832 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.4 m-85 -120.75 136.79 54.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.639 -0.663 . . . . 0.0 111.448 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 27.0 t70 -106.33 91.01 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.919 HD22 HD13 ' A' ' 46' ' ' LEU . 7.9 mt -87.04 14.13 8.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.604 -0.685 . . . . 0.0 111.472 -173.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 31' ' ' ASP . 7.4 t -60.72 -27.16 67.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.169 -0.957 . . . . 0.0 109.988 175.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' CD ' ' CD2' ' A' ' 74' ' ' TYR . 14.0 ptpt -84.17 -23.98 30.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 110.138 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HE1' HG21 ' A' ' 45' ' ' VAL . 22.4 t80 -81.76 -33.49 30.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.396 -0.815 . . . . 0.0 109.902 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.57 -27.36 64.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.326 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.26 -19.96 19.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.585 -0.697 . . . . 0.0 110.665 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -79.73 -48.5 13.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.381 -0.824 . . . . 0.0 110.339 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 29.1 m80 -115.61 84.75 12.8 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.537 -0.727 . . . . 0.0 110.197 178.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 91.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.392 1.207 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.56 -64.61 0.35 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.88 32.5 84.09 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.27 -74.06 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.607 -0.937 . . . . 0.0 110.343 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -100.11 88.33 3.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 0.0 110.519 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 46' ' ' LEU . 9.7 p -167.82 132.44 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.555 -0.715 . . . . 0.0 110.05 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.919 HD13 HD22 ' A' ' 32' ' ' LEU . 7.6 mt . . . . . 0 N--CA 1.499 2.014 0 O-C-N 121.592 -0.692 . . . . 0.0 111.504 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 121.08 0.467 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.1 tt -81.97 -26.22 34.12 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.302 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 p -71.73 64.93 0.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 110.155 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -54.98 0.09 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.542 -0.724 . . . . 0.0 109.875 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.6 p -79.55 -14.28 58.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.538 -0.726 . . . . 0.0 110.799 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' HD21 ' A' ' 70' ' ' LEU . 12.1 m-85 -93.6 22.88 5.03 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 29' ' ' VAL . 51.7 mt -107.65 153.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.298 -0.877 . . . . 0.0 109.798 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 7' ' ' TYR . 36.3 pt -108.44 -25.99 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.538 -0.726 . . . . 0.0 110.779 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.18 -159.56 32.71 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.542 ' HG3' HG13 ' A' ' 4' ' ' VAL . 6.6 mt-10 -111.45 -179.04 3.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.933 . . . . 0.0 110.132 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.016 HD11 HD12 ' A' ' 9' ' ' LEU . 9.1 tt -106.65 152.31 23.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.553 -0.717 . . . . 0.0 110.149 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.65 111.57 4.29 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.54 -0.725 . . . . 0.0 110.104 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.3 Cg_exo -53.25 -23.78 24.44 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 O-C-N 123.131 1.069 . . . . 0.0 111.168 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.54 ' HA ' HD11 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.5 -26.53 63.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.413 -0.805 . . . . 0.0 110.626 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.762 ' HB3' HD22 ' A' ' 9' ' ' LEU . 5.4 m-20 -112.1 -25.09 9.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.457 -0.777 . . . . 0.0 110.554 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.487 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.1 tpm_? -58.62 -46.1 87.78 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.351 -0.843 . . . . 0.0 110.3 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -90.1 -155.06 0.35 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.566 -0.709 . . . . 0.0 110.044 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -118.15 63.13 0.76 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.45 -0.781 . . . . 0.0 109.831 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.592 -0.693 . . . . 0.0 110.318 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 . . . . . 0 N--CA 1.494 1.772 0 CA-C-O 121.145 0.497 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.75 128.68 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.494 -0.754 . . . . 0.0 110.187 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 11.2 ptpt -112.65 -157.45 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.729 -0.607 . . . . 0.0 109.435 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -120.94 91.39 3.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 0.0 110.344 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.701 ' CB ' HD11 ' A' ' 12' ' ' ILE . 27.7 m-85 -61.16 171.7 1.25 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 109.957 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.3 p -110.03 146.51 35.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.54 -0.725 . . . . 0.0 110.009 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 79' ' ' LEU . 6.2 tp -55.02 -22.92 17.23 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.466 -0.772 . . . . 0.0 110.872 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -85.46 -27.29 25.78 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.415 -0.803 . . . . 0.0 110.445 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.4 -31.1 26.86 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.475 -0.766 . . . . 0.0 110.223 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 7' ' ' TYR . 50.8 mm -77.11 -28.73 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 109.896 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -90.28 48.76 1.6 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -163.59 63.95 0.17 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.478 -0.764 . . . . 0.0 110.452 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.5 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 22.8 m-70 -145.26 152.84 40.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.54 -0.725 . . . . 0.0 110.252 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.64 143.84 53.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.55 -27.34 8.62 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.421 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -70.49 -39.45 74.18 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.514 -0.741 . . . . 0.0 110.259 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -84.82 -50.27 7.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.552 -0.717 . . . . 0.0 110.25 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 33' ' ' THR . 5.7 m -121.48 -170.52 2.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.628 -0.67 . . . . 0.0 110.151 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.804 ' HB ' HD11 ' A' ' 36' ' ' LEU . 7.7 t -154.44 121.22 5.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.493 -0.755 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.646 ' HZ3' HD13 ' A' ' 12' ' ' ILE . 7.5 m0 -101.52 73.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.584 -0.698 . . . . 0.0 110.075 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CB ' HD22 ' A' ' 46' ' ' LEU . 69.5 t -79.73 138.14 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.604 -0.685 . . . . 0.0 109.834 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -98.98 137.55 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.58 -0.7 . . . . 0.0 109.88 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.43 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 2.1 tp -145.95 123.84 12.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.63 -0.669 . . . . 0.0 109.774 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 53.61 57.62 5.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 14.2 t-160 55.42 21.24 4.14 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.403 -0.81 . . . . 0.0 111.098 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -122.01 149.98 42.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.071 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 12' ' ' ILE . 38.7 t -104.09 126.58 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.499 -0.751 . . . . 0.0 109.654 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -102.88 131.54 49.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.546 -0.721 . . . . 0.0 111.051 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 28.0 t70 -105.28 78.4 1.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 170.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 46' ' ' LEU . 1.1 mp -88.58 49.43 1.79 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.57 -0.706 . . . . 0.0 110.499 -175.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 20' ' ' SER . 3.8 m -68.26 -42.11 80.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.382 -0.824 . . . . 0.0 109.949 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.83 -28.66 69.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.574 -0.704 . . . . 0.0 110.015 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 53.8 t80 -81.02 -30.22 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.497 -0.752 . . . . 0.0 109.864 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' HB ' ' A' ' 21' ' ' THR . 6.2 mt -61.01 -38.57 86.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.667 -0.646 . . . . 0.0 110.093 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.17 -23.99 28.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.669 -0.644 . . . . 0.0 110.552 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.62 -28.96 40.94 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.463 -0.773 . . . . 0.0 110.188 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.453 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 7.8 m80 -122.41 86.68 48.45 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.061 177.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.53 92.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 O-C-N 123.38 1.2 . . . . 0.0 111.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.78 -45.81 0.69 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -116.37 1.34 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.33 -155.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.496 -1.002 . . . . 0.0 109.912 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -59.97 103.61 0.23 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.404 -0.81 . . . . 0.0 110.168 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.835 HG23 HD12 ' A' ' 46' ' ' LEU . 35.3 m -64.81 -126.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.668 -0.645 . . . . 0.0 110.338 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD12 HG23 ' A' ' 45' ' ' VAL . 3.8 mp . . . . . 0 N--CA 1.501 2.096 0 O-C-N 120.444 -1.41 . . . . 0.0 110.771 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 121.067 0.46 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 6.2 tp -89.99 -28.56 19.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.542 -0.724 . . . . 0.0 110.235 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -74.44 73.26 1.89 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.525 -0.735 . . . . 0.0 110.105 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -169.1 -40.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.583 -0.698 . . . . 0.0 110.279 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.4 p -97.29 -23.03 16.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.544 -0.723 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 79.1 m-85 -90.3 48.9 1.61 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.362 -0.836 . . . . 0.0 110.341 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 76' ' ' ILE . 72.1 mt -117.06 166.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.453 -0.78 . . . . 0.0 110.101 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.2 pt -127.65 -36.3 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -175.9 -154.58 11.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 29.3 mt-10 -126.17 -179.5 4.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.596 -0.944 . . . . 0.0 110.329 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.914 HD11 HD12 ' A' ' 9' ' ' LEU . 7.9 tt -104.74 167.17 9.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.209 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.725 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -80.2 116.27 60.34 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 121.582 -0.699 . . . . 0.0 110.11 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.9 -24.12 23.25 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.137 1.072 . . . . 0.0 111.242 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.21 -49.62 77.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.754 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.7 m-20 -80.4 -34.71 36.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.543 -0.723 . . . . 0.0 110.307 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.628 ' HB2' HD22 ' A' ' 79' ' ' LEU . 4.4 ttt-85 -60.22 -60.84 3.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.517 -0.74 . . . . 0.0 110.069 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -63.67 -151.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.713 -0.617 . . . . 0.0 109.661 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.727 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -120.17 -101.19 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.228 176.426 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 86' ' ' LYS . 46.9 mm . . . . . 0 N--CA 1.496 1.836 0 O-C-N 120.74 -1.225 . . . . 0.0 109.913 176.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 121.068 0.461 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 77' ' ' GLY . 82.3 t -133.61 144.05 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.531 -0.73 . . . . 0.0 110.136 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -117.99 144.89 45.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.655 . . . . 0.0 109.746 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 82.13 5.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.44 -167.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.135 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.9 p -119.36 155.52 31.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.508 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.943 HD12 HD11 ' A' ' 79' ' ' LEU . 11.2 tp -70.19 -28.9 65.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.658 -0.651 . . . . 0.0 110.185 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.58 -28.19 64.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 110.16 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.1 -41.89 73.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.582 -0.699 . . . . 0.0 110.173 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 79' ' ' LEU . 12.1 mt -65.27 -41.4 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.551 -0.718 . . . . 0.0 109.936 177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.28 49.06 1.64 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.575 -0.703 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -167.37 49.01 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.571 -0.705 . . . . 0.0 110.248 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.3 m-70 -124.6 28.71 6.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.567 -0.708 . . . . 0.0 110.269 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -27.97 69.21 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.623 -0.673 . . . . 0.0 110.353 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.72 -29.11 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.243 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -81.52 145.2 30.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.478 -0.764 . . . . 0.0 110.231 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -93.47 19.24 8.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.614 -0.679 . . . . 0.0 110.752 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.67 118.98 32.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.43 -0.794 . . . . 0.0 110.189 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -73.32 116.06 13.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.532 -0.73 . . . . 0.0 110.397 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.485 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 7.2 m95 -103.4 74.33 1.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.521 -0.737 . . . . 0.0 110.13 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.28 119.67 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.589 -0.694 . . . . 0.0 110.027 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 12' ' ' ILE . 46.8 mm -79.57 137.5 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.631 -0.668 . . . . 0.0 110.118 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -150.49 122.33 8.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.599 -0.688 . . . . 0.0 109.881 177.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 52.97 57.72 6.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.42 -0.8 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 53.65 23.65 3.75 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.396 -0.815 . . . . 0.0 110.893 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 75' ' ' ILE . 3.3 ttpt -121.62 149.25 43.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.504 -0.747 . . . . 0.0 110.256 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.8 t -103.3 124.37 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.566 -0.709 . . . . 0.0 109.752 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 32' ' ' LEU . 61.6 m-85 -105.16 130.25 53.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.558 -0.714 . . . . 0.0 111.066 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.7 t0 -105.89 79.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.933 HD22 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -92.27 44.37 1.16 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.581 -0.7 . . . . 0.0 110.35 -174.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -69.79 -23.94 63.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.508 -0.745 . . . . 0.0 110.34 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -79.5 -28.36 41.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.438 -0.788 . . . . 0.0 110.166 177.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 39' ' ' HIS . 21.9 t80 -73.23 -29.22 62.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.521 -0.737 . . . . 0.0 110.036 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.601 HD11 ' OE1' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -66.31 -29.71 69.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.597 -0.689 . . . . 0.0 110.045 177.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -101.11 -20.15 15.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 110.742 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -79.6 -24.22 42.15 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.362 -0.836 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 74.3 m80 -125.11 73.31 65.98 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.409 -0.807 . . . . 0.0 110.35 177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.24 -23.96 24.96 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 O-C-N 123.281 1.148 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.47 69.03 0.92 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.89 -31.23 2.74 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 56.56 -85.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.654 -0.91 . . . . 0.0 110.642 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 36' ' ' LEU . 6.1 mm-40 -82.68 57.83 3.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.091 -1.006 . . . . 0.0 110.061 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.01 -40.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.549 -0.719 . . . . 0.0 110.073 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.933 HD13 HD22 ' A' ' 32' ' ' LEU . 16.2 mt . . . . . 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.412 178.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 . . . . . 0 N--CA 1.494 1.751 0 CA-C-O 121.06 0.457 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -90.73 20.14 4.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.544 -0.722 . . . . 0.0 110.942 177.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.0 p -77.21 73.9 3.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 110.221 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 75' ' ' ILE . 8.4 tmtt? -168.51 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 110.253 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -99.99 -27.28 13.65 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.557 -0.715 . . . . 0.0 110.481 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 70' ' ' LEU . 15.6 m-85 -90.7 48.8 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.298 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.9 mt -113.65 166.9 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.49 -0.756 . . . . 0.0 109.92 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.2 pt -125.81 -34.45 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.478 -0.764 . . . . 0.0 111.062 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.45 -152.94 11.51 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.468 ' HG3' HG11 ' A' ' 4' ' ' VAL . 1.2 mt-10 -119.52 -170.88 2.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 110.129 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.943 HD11 HD12 ' A' ' 9' ' ' LEU . 5.2 tt -109.44 148.6 30.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.718 . . . . 0.0 110.161 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.488 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.0 t-80 -60.95 117.42 25.48 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.59 -0.694 . . . . 0.0 109.991 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.7 -23.95 21.68 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 O-C-N 123.092 1.048 . . . . 0.0 111.246 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.94 -43.94 73.83 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.397 -0.814 . . . . 0.0 110.741 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.522 ' HB3' HD22 ' A' ' 9' ' ' LEU . 4.0 m-20 -79.82 -28.97 40.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.561 -0.712 . . . . 0.0 109.818 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' NH1' HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -62.3 -157.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.582 -0.699 . . . . 0.0 109.879 176.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -90.2 100.21 13.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.492 -0.755 . . . . 0.0 110.42 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.411 ' CD ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -139.97 22.04 2.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.6 176.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.381 -0.825 . . . . 0.0 110.236 177.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 . . . . . 0 N--CA 1.495 1.781 0 CA-C-O 121.166 0.507 . . . . 0.0 110.21 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.9 t 54.18 105.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.424 -0.797 . . . . 0.0 110.667 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.85 147.98 31.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.49 -0.756 . . . . 0.0 109.607 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 96.57 6.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.422 -0.799 . . . . 0.0 110.518 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.31 -167.35 1.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 109.912 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 12' ' ' ILE . 20.0 p -132.59 177.24 7.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.53 -0.731 . . . . 0.0 110.351 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD13 HD21 ' A' ' 79' ' ' LEU . 6.1 tp -82.87 -28.23 30.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.7 -0.625 . . . . 0.0 110.252 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.09 -28.29 43.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.612 -0.68 . . . . 0.0 110.219 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.56 -34.94 53.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.602 -0.687 . . . . 0.0 110.247 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.613 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.4 mt -79.03 -29.35 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.574 -0.704 . . . . 0.0 109.975 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.26 49.11 1.64 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.544 -0.723 . . . . 0.0 110.306 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -149.27 32.2 0.74 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.739 . . . . 0.0 110.233 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -128.26 92.39 3.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.575 -0.703 . . . . 0.0 110.225 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -122.26 47.48 1.91 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.671 -0.643 . . . . 0.0 110.2 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.32 168.0 9.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.507 -0.746 . . . . 0.0 110.167 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 45.94 1.17 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.591 -0.693 . . . . 0.0 110.197 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -125.25 -42.25 2.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.592 -0.693 . . . . 0.0 110.193 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -147.79 169.49 19.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.593 -0.692 . . . . 0.0 110.206 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -136.5 134.48 37.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.504 -0.748 . . . . 0.0 110.19 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE3' HG11 ' A' ' 29' ' ' VAL . 4.7 m0 -99.4 86.79 3.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.586 -0.696 . . . . 0.0 110.252 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' A' ' 32' ' ' LEU . 69.4 t -79.41 136.62 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.456 -0.777 . . . . 0.0 109.296 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.613 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.5 mp -114.96 134.92 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.58 -0.7 . . . . 0.0 109.913 177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 3.9 mp -105.14 71.47 0.95 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.91 26.8 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -179.92 -61.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -76.92 151.69 35.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.746 -0.596 . . . . 0.0 111.119 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.463 HG11 ' CE3' ' A' ' 22' ' ' TRP . 46.3 t -109.85 119.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 32' ' ' LEU . 22.8 m-85 -99.28 119.73 38.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.474 -0.766 . . . . 0.0 111.264 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 76' ' ' ILE . 7.5 t0 -96.35 81.95 3.35 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.711 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -89.95 45.59 1.29 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.556 -0.715 . . . . 0.0 110.831 -173.59 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 31' ' ' ASP . 10.2 t -72.05 -26.52 62.22 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.371 -0.83 . . . . 0.0 110.213 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 15.6 ttmt -82.23 -21.02 36.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' HD1' HD23 ' A' ' 70' ' ' LEU . 68.9 t80 -85.89 -27.9 24.71 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.399 -0.813 . . . . 0.0 110.202 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -61.0 -46.86 89.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 178.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -24.31 63.09 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.724 . . . . 0.0 110.502 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.72 -67.89 0.72 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.441 -0.787 . . . . 0.0 110.104 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 18.6 m80 -79.82 172.24 10.38 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 109.903 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.54 -32.02 51.63 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 O-C-N 123.263 1.138 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 36' ' ' LEU . . . 60.67 50.5 66.94 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 63.94 2.04 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 56.69 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.67 -0.9 . . . . 0.0 110.85 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.54 46.97 1.38 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.187 -0.945 . . . . 0.0 110.422 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 HD12 ' A' ' 46' ' ' LEU . 8.6 p -61.58 -33.42 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.444 -0.785 . . . . 0.0 110.269 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.013 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.336 -0.853 . . . . 0.0 110.312 176.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 N--CA 1.495 1.78 0 CA-C-O 121.087 0.47 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.602 HD23 ' HD1' ' A' ' 35' ' ' PHE . 11.2 tp -90.85 42.54 1.11 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.707 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p -100.39 70.89 1.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -168.52 -40.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.537 -0.727 . . . . 0.0 110.189 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.8 p -96.96 30.38 2.73 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.494 -0.754 . . . . 0.0 110.371 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 70' ' ' LEU . 92.3 m-85 -152.01 29.17 0.58 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.432 -0.792 . . . . 0.0 110.207 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 76' ' ' ILE . 71.2 mt -102.43 164.8 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.521 -0.737 . . . . 0.0 109.716 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 31' ' ' ASP . 40.4 pt -121.6 -32.74 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.99 -153.26 10.62 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 4' ' ' VAL . 55.0 mt-10 -132.2 -169.06 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.599 -0.942 . . . . 0.0 110.582 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.75 HD21 HD13 ' A' ' 9' ' ' LEU . 11.4 tp -96.16 162.16 13.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.664 -0.647 . . . . 0.0 110.466 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.443 ' CD2' ' HD2' ' A' ' 81' ' ' PRO . 28.9 t-80 -85.82 147.01 44.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.554 -0.716 . . . . 0.0 110.069 176.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.443 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 50.4 Cg_exo -53.72 -22.27 22.43 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 O-C-N 123.421 1.222 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.32 -61.43 2.49 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.308 -0.87 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.459 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.8 m-20 -84.92 -21.73 29.54 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.463 -0.773 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 5.5 mtp180 -54.51 -59.78 4.23 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.284 -0.885 . . . . 0.0 110.535 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -90.03 -74.61 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.627 -0.671 . . . . 0.0 110.163 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.59 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -169.94 -76.12 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.491 -0.755 . . . . 0.0 109.771 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 86' ' ' LYS . 50.7 mm . . . . . 0 N--CA 1.495 1.776 0 O-C-N 121.569 -0.707 . . . . 0.0 109.925 177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.003 0.43 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -78.36 134.13 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.543 -0.723 . . . . 0.0 110.066 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -110.1 148.4 31.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.627 -0.671 . . . . 0.0 109.531 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -79.72 80.68 6.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.437 -0.79 . . . . 0.0 110.228 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -61.33 141.85 57.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.629 -0.669 . . . . 0.0 110.006 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -84.91 157.28 20.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.611 -0.681 . . . . 0.0 110.406 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 83' ' ' ASP . 11.5 tp -59.44 -26.84 65.53 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.576 -0.703 . . . . 0.0 110.434 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.75 -26.98 50.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.508 -0.745 . . . . 0.0 110.394 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -29.28 49.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.557 -0.715 . . . . 0.0 110.225 178.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 24' ' ' ILE . 51.3 mm -77.1 -37.08 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.553 -0.717 . . . . 0.0 109.955 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.31 49.06 1.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.591 -0.693 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.28 37.87 3.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.463 -0.773 . . . . 0.0 110.308 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.425 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 65.2 m-70 -115.47 108.22 16.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.587 -0.695 . . . . 0.0 110.121 177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -44.04 0.19 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.646 -0.659 . . . . 0.0 110.323 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -79.75 -68.08 0.7 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.541 -0.725 . . . . 0.0 110.267 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -61.26 161.41 9.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.522 -0.736 . . . . 0.0 110.077 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.07 136.37 43.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 110.15 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -171.88 -159.12 0.14 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.598 -0.689 . . . . 0.0 109.873 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -159.44 82.54 0.76 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' HG11 ' A' ' 29' ' ' VAL . 7.7 m95 -83.61 83.03 8.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.568 -0.707 . . . . 0.0 110.245 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 ' HB3' ' A' ' 46' ' ' LEU . 82.7 t -84.56 142.24 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 24' ' ' ILE . 5.0 mp -114.13 137.21 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' A' ' 30' ' ' TYR . 8.4 mp -103.58 -75.65 0.61 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.525 -0.735 . . . . 0.0 110.625 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -120.64 -41.65 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 81' ' ' PRO . 6.5 t-160 -159.02 25.83 0.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.571 -0.706 . . . . 0.0 110.262 175.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 48.2 mttt -126.85 143.11 51.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.472 -0.767 . . . . 0.0 110.25 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 12' ' ' ILE . 47.5 t -99.76 118.67 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.688 -0.633 . . . . 0.0 109.515 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.706 ' CE1' HD13 ' A' ' 25' ' ' LEU . 28.3 m-85 -95.55 122.62 38.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.487 -0.758 . . . . 0.0 111.133 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.579 ' OD1' HG22 ' A' ' 33' ' ' THR . 38.6 t0 -100.95 83.8 2.58 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.93 HD22 ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -95.8 29.4 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.619 -0.676 . . . . 0.0 110.315 -174.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.579 HG22 ' OD1' ' A' ' 31' ' ' ASP . 8.0 t -60.21 -28.69 68.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.407 -0.808 . . . . 0.0 110.259 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.12 -40.04 47.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.502 -0.748 . . . . 0.0 109.847 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE2' ' NE2' ' A' ' 39' ' ' HIS . 29.1 t80 -64.5 -37.99 89.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.646 -0.659 . . . . 0.0 109.764 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.9 tt -61.23 -31.86 71.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.652 -0.655 . . . . 0.0 110.125 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -91.4 -24.98 19.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.649 -0.657 . . . . 0.0 110.509 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.74 -27.02 40.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.447 -0.783 . . . . 0.0 110.276 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 68.9 m-70 -109.53 98.42 32.37 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.502 -0.749 . . . . 0.0 110.015 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.99 102.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.368 1.194 . . . . 0.0 111.0 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.94 55.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.689 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -71.07 70.25 0.79 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.23 -45.42 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.63 -0.923 . . . . 0.0 109.946 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -100.23 -27.64 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.592 -0.692 . . . . 0.0 110.324 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 45' ' ' VAL . 32.9 m -59.3 104.42 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.505 -0.747 . . . . 0.0 110.416 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.93 ' CD1' HD22 ' A' ' 32' ' ' LEU . 1.5 mt . . . . . 0 N--CA 1.5 2.064 0 O-C-N 121.39 -0.819 . . . . 0.0 111.47 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.099 0.476 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -90.86 20.95 4.4 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 111.095 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -61.72 -26.28 67.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.176 -0.953 . . . . 0.0 110.314 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 73' ' ' THR . 5.0 pttm -68.98 -22.36 64.1 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.555 -0.715 . . . . 0.0 110.825 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' HG3' ' A' ' 72' ' ' LYS . 62.4 p -93.25 -23.19 18.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.336 -0.852 . . . . 0.0 110.61 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' HD12 ' A' ' 70' ' ' LEU . 4.8 m-85 -92.75 44.52 1.16 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.48 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 72' ' ' LYS . 70.3 mt -107.96 166.19 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.528 -0.732 . . . . 0.0 109.927 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 75' ' ' ILE . 32.8 pt -121.72 -34.1 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.465 -0.772 . . . . 0.0 110.798 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.22 -147.42 6.24 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 34.3 mt-10 -133.28 -175.5 3.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.597 -0.943 . . . . 0.0 110.303 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 80' ' ' HIS . 8.9 tt -106.83 162.74 13.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.366 178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.65 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.6 t-80 -81.37 118.43 72.22 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.606 -0.684 . . . . 0.0 110.203 178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -53.39 -23.12 23.03 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.141 1.074 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.69 -49.03 74.07 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.369 -0.832 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.689 ' HB3' HD22 ' A' ' 9' ' ' LEU . 48.3 m-20 -93.67 -22.38 18.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.502 -0.749 . . . . 0.0 110.708 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.541 ' CG ' HD22 ' A' ' 79' ' ' LEU . 1.4 tmm_? -58.27 -45.97 86.9 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.389 -0.82 . . . . 0.0 110.439 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' ILE . 1.3 m -90.07 8.17 34.05 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.532 -0.73 . . . . 0.0 111.074 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt 54.89 56.19 6.93 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.1 -1.0 . . . . 0.0 110.396 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.9 pp . . . . . 0 N--CA 1.494 1.733 0 O-C-N 121.602 -0.686 . . . . 0.0 110.327 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t70 . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 121.057 0.456 . . . . 0.0 110.844 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.872 HG11 ' OE1' ' A' ' 78' ' ' GLU . 69.2 t -82.88 140.9 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.15 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -101.5 140.99 35.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.674 -0.641 . . . . 0.0 109.439 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.63 77.99 6.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.449 -0.782 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' A' ' 76' ' ' ILE . 34.1 m-85 -62.07 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.601 -0.687 . . . . 0.0 109.853 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 12' ' ' ILE . 76.2 p -136.59 168.55 19.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.484 -0.76 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HD21 ' A' ' 79' ' ' LEU . 4.5 tp -72.1 -31.85 66.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.645 -0.659 . . . . 0.0 110.095 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.79 -27.11 67.31 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.627 -0.67 . . . . 0.0 110.328 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -79.9 -28.85 39.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.522 -0.737 . . . . 0.0 110.417 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 24' ' ' ILE . 7.8 mt -88.12 -22.55 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.482 -0.761 . . . . 0.0 110.306 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -90.45 21.47 3.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.317 -0.864 . . . . 0.0 111.215 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -144.48 51.06 1.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.233 -0.917 . . . . 0.0 110.335 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.2 132.84 54.65 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.179 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.83 -167.94 1.59 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.132 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -70.47 0.52 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.632 -0.667 . . . . 0.0 110.215 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m 52.78 -159.65 0.12 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.413 -0.804 . . . . 0.0 110.749 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.75 -28.89 22.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.52 -0.738 . . . . 0.0 110.236 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.0 p -93.16 173.11 7.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.573 -0.705 . . . . 0.0 110.203 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.736 ' CG2' HD12 ' A' ' 36' ' ' LEU . 7.0 t -162.42 135.58 6.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.559 -0.713 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -94.42 77.53 3.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.709 -0.619 . . . . 0.0 109.905 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.742 HG11 ' CD2' ' A' ' 46' ' ' LEU . 58.8 t -79.61 117.5 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.609 -0.682 . . . . 0.0 109.865 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 12' ' ' ILE . 48.4 mm -79.42 136.68 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.52 -0.738 . . . . 0.0 110.544 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.451 ' CB ' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -133.58 84.61 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.659 -0.651 . . . . 0.0 109.671 176.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 54.56 87.58 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.462 -0.774 . . . . 0.0 110.746 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 54.05 26.79 6.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.5 -0.75 . . . . 0.0 111.266 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -135.77 142.17 44.9 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.311 -0.868 . . . . 0.0 110.409 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.4 t -107.58 126.18 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.541 -0.724 . . . . 0.0 109.65 177.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.494 ' HB3' HD11 ' A' ' 32' ' ' LEU . 24.5 m-85 -108.26 129.69 55.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.756 . . . . 0.0 111.129 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -102.91 82.93 2.16 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -91.89 42.54 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.634 -0.666 . . . . 0.0 110.653 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -62.12 -26.42 68.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.47 -0.768 . . . . 0.0 110.212 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.38 51.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.527 -0.733 . . . . 0.0 110.43 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 70' ' ' LEU . 85.6 t80 -89.91 -43.09 10.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 0.0 110.369 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.8 tt -50.66 -26.49 5.51 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.34 -0.85 . . . . 0.0 110.839 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -95.38 -21.89 18.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.559 -0.713 . . . . 0.0 110.669 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -79.52 -36.93 37.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.977 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 65.7 m80 -135.09 61.79 48.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 109.72 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -65.76 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.217 1.114 . . . . 0.0 111.324 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.73 -71.19 0.7 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.01 -66.32 0.03 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.41 -45.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.951 . . . . 0.0 109.866 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.29 98.45 8.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 46' ' ' LEU . 20.2 m -134.23 -47.33 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.291 -0.881 . . . . 0.0 110.765 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.85 HD11 HD13 ' A' ' 32' ' ' LEU . 1.4 mp . . . . . 0 N--CA 1.503 2.192 0 O-C-N 121.592 -0.693 . . . . 0.0 111.365 176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 73' ' ' THR . 9.5 tt0 . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 120.886 0.374 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.619 HD21 ' CE1' ' A' ' 35' ' ' PHE . 0.6 OUTLIER -90.08 -65.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.486 -0.759 . . . . 0.0 109.816 176.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -71.57 65.05 0.45 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.509 -0.744 . . . . 0.0 110.064 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 25.4 tptt -167.23 -60.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.682 . . . . 0.0 109.936 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 69' ' ' GLU . 9.7 t -74.87 -23.48 58.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.56 -0.713 . . . . 0.0 110.491 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -89.95 47.47 1.46 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.393 -0.817 . . . . 0.0 110.25 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 30' ' ' TYR . 73.3 mt -125.7 156.29 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.412 -0.805 . . . . 0.0 110.246 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.8 pt -116.24 -24.79 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.668 -0.645 . . . . 0.0 110.886 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.699 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 174.0 -143.81 7.23 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.872 ' OE1' HG11 ' A' ' 4' ' ' VAL . 34.3 mt-10 -141.76 -170.05 3.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.54 -0.976 . . . . 0.0 110.234 176.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 9' ' ' LEU . 27.6 tp -100.06 153.17 19.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 110.113 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -72.83 134.07 81.67 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.651 -0.655 . . . . 0.0 110.01 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.4 Cg_exo -54.17 -22.56 26.14 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.118 1.062 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' ILE . 8.7 t0 -56.94 -60.27 3.82 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 0.0 110.824 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.751 ' HB3' HD22 ' A' ' 9' ' ' LEU . 55.5 m-20 -79.92 -8.3 59.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.51 -0.744 . . . . 0.0 111.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HG2' HD23 ' A' ' 79' ' ' LEU . 11.1 mmm180 -59.49 -82.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.181 -0.949 . . . . 0.0 110.496 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -90.75 -86.52 0.21 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.226 -0.921 . . . . 0.0 110.589 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 90.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.024 -1.047 . . . . 0.0 110.08 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.284 0 O-C-N 121.599 -0.688 . . . . 0.0 111.147 179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.449 ' OD2' HG23 ' A' ' 4' ' ' VAL . 11.6 p-10 . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 121.123 0.487 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 78' ' ' GLU . 97.7 t 53.29 91.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.779 . . . . 0.0 110.684 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 2.1 tttp -84.1 158.12 21.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.551 -0.718 . . . . 0.0 109.643 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -85.74 86.27 7.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.5 -0.75 . . . . 0.0 110.463 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.91 ' HB3' HD11 ' A' ' 12' ' ' ILE . 80.1 m-85 -75.04 135.35 41.25 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.601 -0.687 . . . . 0.0 109.8 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -92.04 130.52 37.76 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.532 -0.73 . . . . 0.0 110.083 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.617 HD21 ' C ' ' A' ' 83' ' ' ASP . 4.2 pp -57.22 -25.37 58.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.441 -0.787 . . . . 0.0 110.452 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.527 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.7 mm-40 -59.15 -38.76 80.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.495 -0.753 . . . . 0.0 110.161 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.42 -26.25 23.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.726 . . . . 0.0 110.548 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.91 HD11 ' HB3' ' A' ' 7' ' ' TYR . 70.5 mt -82.86 -18.98 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.523 -0.736 . . . . 0.0 110.694 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.92 48.91 1.69 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.212 -0.93 . . . . 0.0 110.32 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -168.48 33.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.031 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.13 -168.71 1.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.598 -0.689 . . . . 0.0 110.22 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -91.92 163.73 13.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.619 -0.676 . . . . 0.0 110.21 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -111.1 -27.51 8.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.514 -0.742 . . . . 0.0 110.36 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -60.52 -28.27 68.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.476 -0.765 . . . . 0.0 110.264 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -147.22 166.37 27.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.509 -0.744 . . . . 0.0 110.361 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t 52.88 69.08 0.74 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.355 -0.841 . . . . 0.0 110.785 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -76.96 113.93 15.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.541 -0.724 . . . . 0.0 110.314 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.456 ' HE3' HG23 ' A' ' 12' ' ' ILE . 8.5 m95 -99.03 66.44 1.55 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.448 -0.783 . . . . 0.0 110.131 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 46' ' ' LEU . 80.5 t -81.95 152.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.494 -0.754 . . . . 0.0 109.915 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 28' ' ' LYS . 5.0 mp -123.44 138.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.545 -0.722 . . . . 0.0 109.839 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 25' ' ' LEU . 3.0 mm? -82.31 -76.02 0.28 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.547 -0.721 . . . . 0.0 110.118 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -124.16 -51.85 1.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.529 -0.732 . . . . 0.0 109.728 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -142.25 24.12 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.628 -0.67 . . . . 0.0 110.241 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.0 mtmt -123.88 138.16 54.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.473 -0.767 . . . . 0.0 110.183 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.5 t -94.11 125.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.768 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 32' ' ' LEU . 29.9 m-85 -107.68 129.41 55.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.569 -0.707 . . . . 0.0 111.175 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 76' ' ' ILE . 22.1 t0 -105.93 77.95 1.29 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -87.93 49.74 1.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.628 -0.67 . . . . 0.0 110.466 -174.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -70.03 -25.3 63.5 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.395 -0.816 . . . . 0.0 110.266 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -75.81 -30.28 58.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.464 -0.773 . . . . 0.0 109.926 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 70' ' ' LEU . 75.8 t80 -74.9 -41.93 58.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 109.77 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.483 ' HG ' HG11 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -60.71 -35.39 76.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.554 -0.716 . . . . 0.0 110.119 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.53 26.14 4.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -104.69 -30.18 10.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.515 -0.74 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -128.32 85.93 59.17 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.607 -0.683 . . . . 0.0 109.974 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.29 96.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.34 1.179 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.27 30.99 2.74 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.76 87.83 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 67.32 -63.05 0.3 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.659 -0.907 . . . . 0.0 110.844 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.57 38.54 1.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.851 . . . . 0.0 110.61 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 36' ' ' LEU . 97.1 t -73.29 170.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 O-C-N 121.456 -0.777 . . . . 0.0 109.508 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 32' ' ' LEU . 2.0 mt . . . . . 0 N--CA 1.503 2.18 0 O-C-N 121.318 -0.864 . . . . 0.0 111.089 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 . . . . . 0 N--CA 1.501 2.095 0 CA-C-O 120.946 0.403 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -90.75 -63.68 1.24 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.458 -0.777 . . . . 0.0 110.09 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -71.31 67.34 0.48 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 0.0 110.186 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -168.46 -40.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.503 -0.748 . . . . 0.0 110.071 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 73' ' ' THR . 8.3 t -99.31 -22.0 15.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.571 -0.706 . . . . 0.0 110.565 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 28.9 m-85 -90.91 47.76 1.45 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 178.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.0 mt -123.52 165.32 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.745 HD11 ' CG1' ' A' ' 29' ' ' VAL . 31.4 pt -127.63 -35.81 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.53 -0.732 . . . . 0.0 110.965 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.13 -154.23 11.8 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG3' HG13 ' A' ' 4' ' ' VAL . 10.8 mt-10 -110.92 -168.23 1.28 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.581 -0.952 . . . . 0.0 110.355 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 7' ' ' TYR . 69.1 tp -110.49 159.5 17.46 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.586 -0.696 . . . . 0.0 110.044 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -85.72 113.61 52.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.629 -0.669 . . . . 0.0 110.013 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.525 ' O ' HD13 ' A' ' 87' ' ' ILE . 50.4 Cg_exo -53.2 -22.79 20.81 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 O-C-N 123.185 1.097 . . . . 0.0 111.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -53.94 -54.3 40.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.32 -0.862 . . . . 0.0 111.266 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.617 ' C ' HD21 ' A' ' 9' ' ' LEU . 41.2 m-20 -83.94 -14.94 49.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.364 -0.835 . . . . 0.0 111.28 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HD3' HD23 ' A' ' 79' ' ' LEU . 10.9 mmm-85 -51.15 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.097 -1.002 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 t -90.87 -87.11 0.2 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.153 -0.967 . . . . 0.0 110.408 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.66 70.88 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.105 -0.997 . . . . 0.0 109.755 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 87' ' ' ILE . 5.2 mp . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.353 -0.842 . . . . 0.0 110.082 179.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 121.137 0.494 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.659 HG13 ' C ' ' A' ' 77' ' ' GLY . 94.3 t -80.77 145.1 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.591 -0.693 . . . . 0.0 110.067 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -156.07 0.59 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.572 -0.705 . . . . 0.0 109.903 176.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -132.53 96.39 3.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.495 -0.753 . . . . 0.0 110.298 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 76' ' ' ILE . 37.2 m-85 -81.5 135.21 35.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.574 -0.704 . . . . 0.0 110.251 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -67.08 151.69 47.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.587 -0.695 . . . . 0.0 110.04 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 83' ' ' ASP . 7.7 tp -66.49 -28.84 68.88 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.567 -0.708 . . . . 0.0 110.203 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -69.47 -27.84 65.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.573 -0.705 . . . . 0.0 110.194 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -26.27 49.21 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.534 -0.729 . . . . 0.0 110.396 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 24' ' ' ILE . 68.5 mt -83.8 -20.18 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.527 -0.733 . . . . 0.0 110.478 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -90.35 48.71 1.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.335 -0.853 . . . . 0.0 110.352 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 26.42 0.88 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -0.758 . . . . 0.0 110.452 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 22' ' ' TRP . 53.7 m-70 -98.64 -156.06 0.53 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 56.67 52.4 9.7 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.127 -0.983 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -168.36 -45.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.651 -0.656 . . . . 0.0 109.845 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.55 50.49 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.602 -0.686 . . . . 0.0 110.054 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -136.94 -152.67 0.45 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.51 -0.743 . . . . 0.0 109.928 178.626 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 33' ' ' THR . 18.7 m -102.23 -158.76 0.69 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 110.48 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 32' ' ' LEU . 7.2 t -103.53 86.84 2.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.442 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.495 ' CG ' ' CE1' ' A' ' 15' ' ' HIS . 5.6 m95 -80.0 75.76 6.73 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.465 -0.772 . . . . 0.0 110.273 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.6 137.74 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.591 -0.693 . . . . 0.0 109.332 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 12' ' ' ILE . 7.1 mt -109.77 136.85 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.378 -0.826 . . . . 0.0 110.456 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 30' ' ' TYR . 4.2 mm? -98.9 51.22 0.96 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.45 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 56.92 18.97 4.2 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.614 -0.679 . . . . 0.0 110.887 -179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.404 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 13.3 t-160 -176.29 -62.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.0 110.04 176.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 24.1 mttp -80.75 147.55 30.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.683 -0.636 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.81 125.68 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.582 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CD1' HD23 ' A' ' 25' ' ' LEU . 23.3 m-85 -107.14 123.54 48.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 111.034 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' HG23 ' A' ' 33' ' ' THR . 14.1 t0 -105.48 85.58 2.27 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -96.8 69.69 2.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.543 -0.723 . . . . 0.0 110.28 -173.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.44 HG23 ' OD1' ' A' ' 31' ' ' ASP . 77.1 p -67.72 -41.59 83.25 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.422 -0.799 . . . . 0.0 109.964 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -60.53 -30.77 69.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.57 -0.706 . . . . 0.0 109.85 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 46' ' ' LEU . 80.8 t80 -80.65 -43.23 20.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.594 -0.691 . . . . 0.0 109.485 175.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.3 tm? -61.95 -30.28 70.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.779 -0.575 . . . . 0.0 109.738 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -77.37 -29.46 53.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.243 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -85.41 -28.9 24.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.574 -0.704 . . . . 0.0 110.206 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 67.1 m80 -119.62 84.84 31.32 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 110.252 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.98 103.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 O-C-N 123.357 1.188 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.79 -88.77 0.07 OUTLIER Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.545 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -173.26 -149.76 7.06 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.7 -72.39 0.19 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.974 . . . . 0.0 110.217 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.58 69.03 0.4 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.297 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.82 -19.37 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.518 -0.739 . . . . 0.0 110.683 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 32' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.498 1.933 0 O-C-N 121.268 -0.895 . . . . 0.0 110.15 177.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 N--CA 1.493 1.7 0 CA-C-O 121.071 0.462 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -81.29 -53.95 5.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.241 178.18 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -84.3 56.63 3.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.716 . . . . 0.0 110.23 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -146.03 -66.1 0.3 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.495 -0.753 . . . . 0.0 110.356 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.4 t -94.12 20.85 7.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.703 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 70' ' ' LEU . 36.2 m-85 -115.85 28.81 8.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.82 . . . . 0.0 109.796 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 30' ' ' TYR . 68.4 mt -113.79 157.99 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.537 -0.727 . . . . 0.0 110.789 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.836 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.6 pt -121.84 -26.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.667 -0.646 . . . . 0.0 111.092 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.659 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.06 -147.41 8.32 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG3' HG11 ' A' ' 4' ' ' VAL . 4.5 mt-10 -132.79 -166.81 1.81 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.518 -0.99 . . . . 0.0 110.744 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -103.34 132.29 49.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.732 -0.605 . . . . 0.0 109.846 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.635 ' N ' HD13 ' A' ' 79' ' ' LEU . 6.2 t-80 -60.86 114.55 10.69 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 173.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.74 -24.91 10.6 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 O-C-N 122.988 0.994 . . . . 0.0 111.687 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.14 -25.44 63.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.775 . . . . 0.0 110.802 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HD22 ' A' ' 9' ' ' LEU . 63.6 m-20 -134.07 -5.21 2.73 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.29 -0.881 . . . . 0.0 112.134 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD12 ' A' ' 79' ' ' LEU . 51.4 ttp180 -50.82 -48.79 59.72 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.938 -1.101 . . . . 0.0 110.845 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -90.18 -78.0 0.38 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.557 -0.714 . . . . 0.0 110.048 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -170.22 32.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.968 176.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 87' ' ' ILE . 3.6 mp . . . . . 0 N--CA 1.495 1.81 0 O-C-N 121.387 -0.821 . . . . 0.0 110.187 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.1 0.476 . . . . 0.0 110.197 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.528 HG11 ' CD ' ' A' ' 78' ' ' GLU . 75.9 t -82.3 141.86 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.559 -0.713 . . . . 0.0 110.04 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -115.82 147.68 40.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 109.683 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 81' ' ' PRO . 10.1 m-85 -79.89 86.78 5.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.51 -0.744 . . . . 0.0 110.285 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -61.48 -169.36 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.617 -0.677 . . . . 0.0 110.066 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.2 p -130.88 147.9 52.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.561 -0.712 . . . . 0.0 110.279 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 79' ' ' LEU . 5.9 tp -60.89 -27.72 68.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.569 -0.707 . . . . 0.0 110.295 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.58 -31.12 61.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.525 -0.734 . . . . 0.0 110.356 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -79.72 -26.1 40.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.523 -0.736 . . . . 0.0 110.431 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 9' ' ' LEU . 57.3 mt -79.3 -32.6 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.514 -0.741 . . . . 0.0 109.994 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.33 48.7 1.59 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.6 -0.687 . . . . 0.0 110.42 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 58.84 0.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' CE1' ' NE1' ' A' ' 22' ' ' TRP . 24.1 m-70 -114.41 85.45 2.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.561 -0.712 . . . . 0.0 110.188 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -139.26 28.22 2.29 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.688 -0.632 . . . . 0.0 110.298 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -103.26 -72.33 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.16 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p -102.3 -158.25 0.66 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.623 -0.673 . . . . 0.0 110.043 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -103.8 137.03 42.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 110.08 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -170.54 -168.99 0.75 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.589 -0.694 . . . . 0.0 110.11 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -160.57 118.16 2.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.597 -0.69 . . . . 0.0 110.251 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.646 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.8 m95 -107.05 82.98 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.719 . . . . 0.0 110.123 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 46' ' ' LEU . 93.7 t -85.55 104.05 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.673 -0.642 . . . . 0.0 110.18 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 29' ' ' VAL . 44.6 mm -79.37 137.2 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.382 -0.824 . . . . 0.0 109.631 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.658 HD13 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -105.77 -83.71 0.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 110.245 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -110.24 -27.43 9.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.208 -0.933 . . . . 0.0 110.124 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 78' ' ' GLU . 8.6 t-160 -167.18 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.62 -0.675 . . . . 0.0 109.739 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.48 142.5 58.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.547 -0.721 . . . . 0.0 110.395 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.796 HG22 HD12 ' A' ' 24' ' ' ILE . 59.5 t -100.11 124.03 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.662 -0.649 . . . . 0.0 109.504 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 25' ' ' LEU . 24.8 m-85 -92.59 114.23 26.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.528 -0.733 . . . . 0.0 111.021 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.9 t0 -95.29 72.99 3.31 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 170.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.18 57.95 2.39 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.672 -0.643 . . . . 0.0 110.446 -174.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.3 p -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -60.63 -25.11 66.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.482 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 39' ' ' HIS . 9.2 t80 -89.97 -27.68 19.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.4 tt -65.16 -26.14 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.571 -0.706 . . . . 0.0 110.398 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.68 -25.4 12.72 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.577 -0.702 . . . . 0.0 110.529 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 50.9 tt0 -86.41 -40.9 14.91 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.378 -0.827 . . . . 0.0 110.011 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 46.9 m80 -132.83 65.28 73.87 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.592 -0.693 . . . . 0.0 109.813 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 45' ' ' VAL . 50.1 Cg_exo -52.44 -53.6 6.61 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 O-C-N 123.288 1.152 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.69 -68.6 0.99 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 -52.85 0.05 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -168.8 -66.46 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.549 -0.971 . . . . 0.0 110.031 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt-10 -100.41 -7.97 23.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.5 -0.75 . . . . 0.0 111.07 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 43.85 -168.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.814 0 O-C-N 121.34 -0.85 . . . . 0.0 111.5 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mp . . . . . 0 N--CA 1.5 2.046 0 O-C-N 121.444 -0.785 . . . . 0.0 111.233 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 . . . . . 0 N--CA 1.501 2.082 0 CA-C-O 121.049 0.452 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' ' 74' ' ' TYR . 6.7 tp -77.41 -25.46 50.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.599 -0.688 . . . . 0.0 110.38 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 p -72.03 64.52 0.53 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.287 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HA ' HD12 ' A' ' 75' ' ' ILE . 1.8 tptt -158.7 -68.16 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.558 -0.714 . . . . 0.0 109.89 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.677 HG23 ' CD1' ' A' ' 74' ' ' TYR . 9.0 t -63.18 -17.28 62.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.518 -0.738 . . . . 0.0 110.645 176.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.677 ' CD1' HG23 ' A' ' 73' ' ' THR . 64.9 m-85 -94.57 26.28 3.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.267 -0.896 . . . . 0.0 110.486 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 72' ' ' LYS . 70.2 mt -116.74 162.73 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.409 -0.807 . . . . 0.0 109.938 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD13 ' HB2' ' A' ' 31' ' ' ASP . 31.4 pt -124.89 -35.03 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.494 ' C ' HG13 ' A' ' 4' ' ' VAL . . . -175.34 -152.7 9.56 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.528 ' CD ' HG11 ' A' ' 4' ' ' VAL . 10.9 mt-10 -126.56 -167.71 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.632 -0.923 . . . . 0.0 110.124 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -106.83 166.31 10.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.557 -0.715 . . . . 0.0 109.984 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.5 ' N ' HD23 ' A' ' 79' ' ' LEU . 19.3 t-80 -81.07 133.01 55.05 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.728 . . . . 0.0 110.189 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 6' ' ' TYR . 50.4 Cg_exo -53.06 -23.73 22.89 Favored 'Trans proline' 0 N--CA 1.492 1.403 0 O-C-N 123.086 1.045 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.58 -55.16 37.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.377 -0.827 . . . . 0.0 110.532 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.53 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.2 m-20 -79.89 -24.0 41.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.56 -0.713 . . . . 0.0 110.387 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 3.6 tpm_? -58.03 -61.89 2.21 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.347 -0.846 . . . . 0.0 110.061 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -79.8 -149.0 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.652 -0.655 . . . . 0.0 109.445 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.837 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -110.55 -92.62 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.915 . . . . 0.0 109.361 175.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 86' ' ' LYS . 33.8 mm . . . . . 0 N--CA 1.497 1.907 0 O-C-N 120.896 -1.128 . . . . 0.0 109.958 176.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.501 2.121 0 CA-C-O 121.077 0.465 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 78' ' ' GLU . 74.8 t -123.34 141.7 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.565 -0.709 . . . . 0.0 110.054 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -117.96 156.8 27.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.62 -0.675 . . . . 0.0 109.751 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.18 93.34 9.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 110.34 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.6 m-85 -75.64 -168.53 0.87 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.633 -0.667 . . . . 0.0 110.037 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p -125.94 163.84 22.09 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 83' ' ' ASP . 4.6 tp -72.74 -38.48 67.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.66 -0.65 . . . . 0.0 110.083 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.57 -27.62 67.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 0.0 110.298 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -90.28 -30.84 17.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.549 -0.719 . . . . 0.0 110.755 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CG2' HD11 ' A' ' 24' ' ' ILE . 73.6 mt -90.21 -54.16 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.477 -0.764 . . . . 0.0 110.378 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -55.54 -22.21 20.51 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.483 -0.761 . . . . 0.0 110.96 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -59.27 -27.45 65.83 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.462 -0.774 . . . . 0.0 110.412 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.8 m-70 -79.82 160.08 26.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 177.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.62 -42.42 0.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.564 -0.71 . . . . 0.0 110.461 178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -169.04 -37.59 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.5 -0.75 . . . . 0.0 110.832 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -50.32 100.95 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 62.03 136.2 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.564 0.697 . . . . 0.0 110.866 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m 51.04 -173.4 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.371 -0.831 . . . . 0.0 111.054 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -157.4 118.79 3.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.517 -0.739 . . . . 0.0 110.35 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -93.7 75.6 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.769 . . . . 0.0 109.782 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.886 HG21 HD11 ' A' ' 46' ' ' LEU . 52.4 t -79.34 159.83 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.587 -0.696 . . . . 0.0 109.414 178.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.3 mp -137.99 136.29 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.686 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 30' ' ' TYR . 3.8 mm? -89.02 55.86 3.49 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 57.8 17.0 3.89 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.765 -0.584 . . . . 0.0 111.196 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -177.34 -62.31 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.086 -1.009 . . . . 0.0 110.088 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.04 127.45 33.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.623 -0.673 . . . . 0.0 110.414 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.3 t -87.81 128.95 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.552 -0.718 . . . . 0.0 109.583 176.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.733 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -106.87 137.69 44.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.682 . . . . 0.0 111.289 -178.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.3 t70 -109.65 84.12 1.87 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.61 27.94 2.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.591 -0.693 . . . . 0.0 110.602 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -58.86 -26.69 64.45 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.331 -0.856 . . . . 0.0 110.45 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -84.74 -29.08 25.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.193 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 83.2 t80 -84.1 -34.62 24.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.529 -0.732 . . . . 0.0 110.195 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -42.92 96.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.556 -0.715 . . . . 0.0 110.265 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.57 -21.48 38.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.709 -0.619 . . . . 0.0 110.733 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 16.1 mt-10 -79.44 -27.31 41.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 15.7 m80 -111.78 95.66 29.41 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.067 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.58 102.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.398 1.21 . . . . 0.0 111.009 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.13 -73.39 0.17 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.419 ' C ' HG22 ' A' ' 45' ' ' VAL . . . 90.95 -50.99 3.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -83.41 -46.6 12.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.683 -0.893 . . . . 0.0 110.234 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 45' ' ' VAL . 7.9 pt-20 -59.41 -26.1 64.87 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.47 -0.769 . . . . 0.0 110.549 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 44' ' ' GLU . 33.7 m -88.95 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.497 -0.752 . . . . 0.0 110.069 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.886 HD11 HG21 ' A' ' 23' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.502 2.16 0 O-C-N 121.296 -0.877 . . . . 0.0 110.72 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.092 0.472 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 3.3 mm? -82.67 -28.3 30.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 110.324 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -72.07 64.42 0.53 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 110.195 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' HD11 ' A' ' 75' ' ' ILE . 12.4 tptt -168.88 -41.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 110.116 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -96.53 -23.85 16.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 110.58 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 11.9 m-85 -90.76 48.14 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 110.252 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.444 HD11 ' HA ' ' A' ' 72' ' ' LYS . 71.7 mt -112.83 162.71 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.465 -0.772 . . . . 0.0 109.817 178.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 ' CG1' ' A' ' 29' ' ' VAL . 42.6 pt -119.99 -31.82 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.448 -0.783 . . . . 0.0 110.968 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.406 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.21 -155.27 15.55 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 4' ' ' VAL . 5.0 mt-10 -126.44 -167.21 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.607 -0.937 . . . . 0.0 110.422 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 9' ' ' LEU . 64.3 tp -109.27 158.24 18.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.064 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -83.48 135.91 43.24 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 109.622 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.87 -21.75 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 O-C-N 123.132 1.07 . . . . 0.0 111.858 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -63.66 -13.68 44.9 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.267 -0.896 . . . . 0.0 111.735 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.777 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.5 m-20 -125.46 -3.13 7.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.0 111.415 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -51.08 175.84 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.151 -0.968 . . . . 0.0 110.941 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 t -56.16 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.586 -0.696 . . . . 0.0 111.261 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 56.38 88.99 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.822 . . . . 0.0 110.607 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.588 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.186 0.517 . . . . 0.0 110.105 175.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 N--CA 1.495 1.822 0 CA-C-O 121.057 0.456 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.806 HG11 ' CD ' ' A' ' 78' ' ' GLU . 79.1 t -63.72 150.83 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.599 -0.688 . . . . 0.0 110.112 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.12 -167.9 1.33 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.719 -0.613 . . . . 0.0 109.568 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.84 87.53 2.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.371 -0.83 . . . . 0.0 110.29 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 31.0 m-85 -61.4 -164.27 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.626 -0.671 . . . . 0.0 110.085 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.95 154.37 37.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.467 -0.771 . . . . 0.0 110.393 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 79' ' ' LEU . 13.9 tp -63.86 -28.44 69.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.628 -0.67 . . . . 0.0 110.25 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -74.7 -28.01 60.63 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.549 -0.72 . . . . 0.0 110.275 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 2.2 mm-40 -71.57 -28.73 64.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.212 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 79' ' ' LEU . 45.7 mt -94.66 -29.32 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.564 -0.71 . . . . 0.0 109.991 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.8 20.05 5.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.561 -0.712 . . . . 0.0 111.081 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -133.21 31.05 3.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.246 -0.909 . . . . 0.0 110.281 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 4.9 m-70 -116.86 81.21 1.6 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 178.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -28.62 68.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.514 -0.741 . . . . 0.0 110.277 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -168.15 -66.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 p 49.57 31.78 4.42 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.527 -0.733 . . . . 0.0 111.112 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt 66.56 -66.78 0.17 Allowed 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.513 -0.742 . . . . 0.0 110.711 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -67.37 -177.98 0.79 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 110.119 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' THR . 7.3 t -137.74 126.09 23.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.564 -0.71 . . . . 0.0 110.294 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -99.89 84.64 2.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.583 -0.698 . . . . 0.0 110.249 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' C ' HD12 ' A' ' 24' ' ' ILE . 64.6 t -85.8 165.38 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.508 -0.745 . . . . 0.0 109.991 177.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -140.29 143.54 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.551 -0.718 . . . . 0.0 109.672 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 24' ' ' ILE . 7.8 mp -123.77 -79.73 0.62 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.458 -0.776 . . . . 0.0 110.495 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -108.41 78.05 1.14 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.297 -0.877 . . . . 0.0 109.846 177.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 54.63 22.24 3.9 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.0 110.677 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -119.84 141.24 49.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.614 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 76' ' ' ILE . 46.5 t -93.49 140.74 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.547 -0.721 . . . . 0.0 110.066 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -113.96 132.91 55.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.689 -0.632 . . . . 0.0 111.031 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.678 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.6 t0 -108.98 86.06 2.21 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -95.56 31.06 2.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.656 -0.653 . . . . 0.0 110.515 -175.197 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -62.91 -27.17 69.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.45 -0.781 . . . . 0.0 110.357 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -88.22 -28.94 20.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.14 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CD1' HD13 ' A' ' 70' ' ' LEU . 37.3 t80 -79.65 -27.28 40.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.58 -0.7 . . . . 0.0 110.238 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.3 tt -59.81 -28.8 67.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.424 -0.797 . . . . 0.0 110.29 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -112.0 29.61 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.597 -0.689 . . . . 0.0 110.156 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.84 -53.41 2.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 110.305 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -117.44 80.56 13.01 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.14 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.473 1.249 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.75 -94.36 2.14 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.25 50.19 0.79 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 56.55 -85.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.713 -0.875 . . . . 0.0 110.759 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -94.3 107.58 19.52 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.154 -0.966 . . . . 0.0 110.157 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.96 -24.55 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.543 -0.723 . . . . 0.0 110.531 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 32' ' ' LEU . 5.0 mt . . . . . 0 N--CA 1.497 1.889 0 O-C-N 121.446 -0.784 . . . . 0.0 110.434 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 . . . . . 0 N--CA 1.496 1.863 0 CA-C-O 121.062 0.458 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 35' ' ' PHE . 6.6 mt -90.04 -27.85 19.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.545 -0.722 . . . . 0.0 110.253 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -72.08 64.67 0.54 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.062 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -169.42 -39.58 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.445 -0.784 . . . . 0.0 110.27 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -98.29 -16.04 19.54 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.44 -0.788 . . . . 0.0 110.834 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.78 23.4 4.8 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.292 -0.88 . . . . 0.0 110.654 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 9.0 mm -88.39 163.73 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.332 -0.855 . . . . 0.0 109.402 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ASP . 37.5 pt -121.72 -33.01 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.428 -0.795 . . . . 0.0 111.024 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.736 ' HA2' HG13 ' A' ' 4' ' ' VAL . . . -179.06 -162.2 27.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.806 ' CD ' HG11 ' A' ' 4' ' ' VAL . 12.3 mt-10 -118.97 -173.25 2.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.621 -0.929 . . . . 0.0 110.205 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 9' ' ' LEU . 9.0 tt -108.36 150.28 27.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.676 . . . . 0.0 110.079 177.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.36 111.57 4.21 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.611 -0.681 . . . . 0.0 110.147 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.13 -24.01 24.39 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 O-C-N 123.196 1.103 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.24 -28.11 66.39 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.464 -0.773 . . . . 0.0 110.448 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB3' HD22 ' A' ' 9' ' ' LEU . 73.5 m-20 -102.62 -24.68 13.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.566 -0.709 . . . . 0.0 110.434 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -56.54 -64.31 0.91 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.392 -0.818 . . . . 0.0 109.909 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -148.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.801 ' O ' HD13 ' A' ' 87' ' ' ILE . 14.3 mmmm -122.66 -95.13 0.48 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.098 -1.001 . . . . 0.0 109.732 175.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 86' ' ' LYS . 39.9 mm . . . . . 0 N--CA 1.496 1.871 0 O-C-N 120.931 -1.106 . . . . 0.0 109.933 177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.086 0.47 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.4 t 53.99 103.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.509 -0.744 . . . . 0.0 110.578 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 55.5 tttt -85.49 161.0 19.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.578 -0.701 . . . . 0.0 109.432 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -87.16 93.45 9.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.442 -0.786 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 49.6 m-85 -76.07 -164.05 0.34 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.683 -0.635 . . . . 0.0 109.326 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' ILE . 50.8 p -142.3 148.24 37.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.326 -0.859 . . . . 0.0 110.621 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.8 tp -59.9 -26.79 66.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.698 -0.626 . . . . 0.0 110.379 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.39 -51.27 12.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.547 -0.721 . . . . 0.0 110.407 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -30.93 70.66 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.522 HG22 HD11 ' A' ' 24' ' ' ILE . 45.1 mt -76.88 -29.14 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.95 177.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.91 20.79 4.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.587 -0.695 . . . . 0.0 111.017 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -128.44 29.65 5.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.202 -0.936 . . . . 0.0 110.258 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -124.42 91.61 3.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.61 -0.682 . . . . 0.0 110.161 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -112.87 -31.57 6.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.311 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.89 -156.6 0.12 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.499 -0.751 . . . . 0.0 110.242 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.7 m 52.75 -176.22 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.492 -0.755 . . . . 0.0 110.837 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 36' ' ' LEU . 24.8 ttpp -113.6 19.66 16.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.555 -0.715 . . . . 0.0 110.733 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -98.96 99.29 10.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.283 -0.885 . . . . 0.0 110.293 178.262 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -76.77 124.26 27.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.631 -0.668 . . . . 0.0 110.265 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -102.19 80.95 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.535 -0.728 . . . . 0.0 110.332 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 46' ' ' LEU . 62.3 t -79.54 144.43 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.452 -0.78 . . . . 0.0 109.219 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 12' ' ' ILE . 5.8 mt -114.09 136.3 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.425 -0.797 . . . . 0.0 110.574 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 1.8 mm? -104.81 63.51 0.72 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.18 29.03 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' NH1' ' A' ' 84' ' ' ARG . 21.7 t-160 -177.83 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 0.0 109.763 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -82.86 160.57 22.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 110.707 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.65 127.81 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.767 -0.583 . . . . 0.0 109.505 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 16.4 m-85 -103.76 116.84 33.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.636 -0.665 . . . . 0.0 111.123 -176.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' HB2' HD13 ' A' ' 76' ' ' ILE . 19.4 t0 -98.8 73.22 1.99 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -79.75 65.5 4.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.775 -0.578 . . . . 0.0 109.987 -175.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 20' ' ' SER . 68.1 p -63.28 -50.57 69.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.73 . . . . 0.0 110.412 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -59.1 -27.92 66.03 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.547 -0.721 . . . . 0.0 110.368 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.734 ' CE1' HG23 ' A' ' 45' ' ' VAL . 22.5 t80 -73.17 -39.49 65.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.565 -0.709 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -57.19 -25.96 59.85 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 110.521 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.53 -29.04 28.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 110.627 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -65.84 0.95 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.357 -0.839 . . . . 0.0 109.988 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CZ ' ' A' ' 35' ' ' PHE . 76.7 m80 -79.83 169.74 18.81 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.481 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.7 -30.15 36.15 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 O-C-N 123.198 1.104 . . . . 0.0 110.579 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 75.23 -61.57 2.66 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 173.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 25.22 27.44 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -145.88 -82.85 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.424 -1.045 . . . . 0.0 110.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -100.31 72.6 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.548 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' CE1' ' A' ' 35' ' ' PHE . 13.5 p -110.28 136.73 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.611 -0.681 . . . . 0.0 110.575 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER . . . . . 0 N--CA 1.501 2.108 0 O-C-N 121.519 -0.738 . . . . 0.0 111.555 178.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 121.15 0.5 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -91.22 23.51 3.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.513 -0.742 . . . . 0.0 111.036 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -69.48 73.93 0.37 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.377 -0.827 . . . . 0.0 110.059 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -167.64 -45.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.561 -0.712 . . . . 0.0 110.351 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.8 p -93.84 20.37 7.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.509 -0.745 . . . . 0.0 110.687 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 70' ' ' LEU . 55.6 m-85 -134.01 28.14 3.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.43 -0.794 . . . . 0.0 109.908 177.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.439 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.8 mt -109.72 163.83 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.523 -0.735 . . . . 0.0 110.517 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 31' ' ' ASP . 30.4 pt -124.82 -35.59 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.71 -0.619 . . . . 0.0 110.756 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.54 -167.66 40.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -113.26 153.3 28.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.719 -0.871 . . . . 0.0 110.165 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 84' ' ' ARG . 3.6 pp -74.76 177.71 5.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.569 -0.707 . . . . 0.0 110.483 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.584 ' O ' HD12 ' A' ' 79' ' ' LEU . 13.2 t-80 -79.05 129.71 72.11 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.088 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' ARG . 50.5 Cg_exo -51.76 -24.19 17.55 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 O-C-N 123.194 1.102 . . . . 0.0 111.473 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.25 -28.43 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.391 -0.818 . . . . 0.0 111.113 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.582 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.9 m-20 -117.08 -12.01 10.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.797 . . . . 0.0 111.04 177.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.674 ' HB2' HD11 ' A' ' 79' ' ' LEU . 7.0 tmm_? -61.03 -64.15 1.05 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.476 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -90.31 -92.72 0.13 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.45 -0.781 . . . . 0.0 110.356 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -175.54 59.16 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.752 -1.218 . . . . 0.0 110.136 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.3 mp . . . . . 0 N--CA 1.495 1.809 0 O-C-N 121.334 -0.854 . . . . 0.0 110.463 177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.3 t0 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.097 0.475 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -151.86 28.97 0.6 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.527 -0.733 . . . . 0.0 110.229 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -135.35 98.19 3.9 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.531 -0.73 . . . . 0.0 110.197 178.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 78' ' ' GLU . 76.9 t 53.64 101.91 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.401 -0.812 . . . . 0.0 110.639 178.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -89.61 151.12 22.08 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.514 -0.741 . . . . 0.0 109.768 175.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -79.91 85.28 5.56 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.539 -0.726 . . . . 0.0 110.303 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -61.74 -168.69 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.566 -0.709 . . . . 0.0 109.966 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 30.3 p -125.79 167.72 14.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.537 -0.727 . . . . 0.0 110.381 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.071 HD12 HD11 ' A' ' 79' ' ' LEU . 3.6 tp -76.11 -35.37 59.32 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.655 -0.653 . . . . 0.0 110.285 178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -69.61 -29.99 67.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.51 -0.744 . . . . 0.0 110.277 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -77.63 -28.95 51.51 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.514 -0.741 . . . . 0.0 110.153 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.689 HD13 HD12 ' A' ' 79' ' ' LEU . 80.0 mt -88.94 -34.31 6.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 177.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -90.35 48.69 1.58 Allowed 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.551 -0.718 . . . . 0.0 110.336 177.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -150.35 28.88 0.72 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.489 -0.757 . . . . 0.0 110.208 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.49 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 74.9 m-70 -101.66 48.1 0.89 Allowed 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.591 -0.693 . . . . 0.0 110.253 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -80.6 -29.63 36.89 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.518 -0.739 . . . . 0.0 110.146 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -110.95 -157.97 0.63 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.55 -0.719 . . . . 0.0 110.152 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 52.99 -159.34 0.13 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.422 -0.799 . . . . 0.0 110.78 178.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -121.76 -155.2 0.63 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.552 -0.718 . . . . 0.0 109.691 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.2 m 53.13 98.53 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.257 -0.902 . . . . 0.0 110.802 178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.448 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.4 t -75.64 136.82 40.44 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.6 -0.687 . . . . 0.0 110.347 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.531 ' CH2' HD12 ' A' ' 76' ' ' ILE . 4.8 m95 -107.29 76.64 1.09 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.58 -0.7 . . . . 0.0 110.13 177.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.688 HG22 ' CD ' ' A' ' 48' ' ' GLU . 58.1 t -79.85 166.89 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.553 -0.717 . . . . 0.0 109.918 178.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -134.25 138.16 50.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.576 -0.702 . . . . 0.0 109.89 177.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD13 ' HA ' ' A' ' 25' ' ' LEU . 1.5 mm? -86.16 -76.2 0.35 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.582 -0.699 . . . . 0.0 109.993 178.024 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 -125.29 -53.01 1.61 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.477 -0.764 . . . . 0.0 109.624 176.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -141.31 20.65 2.24 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.7 -0.625 . . . . 0.0 110.231 175.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.2 mtmt -119.03 140.23 50.39 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.413 -0.805 . . . . 0.0 110.169 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 76' ' ' ILE . 56.9 t -91.79 126.4 44.4 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.61 -0.681 . . . . 0.0 109.749 178.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -106.45 118.01 35.53 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.546 -0.721 . . . . 0.0 110.972 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 11.2 t0 -95.07 73.74 3.44 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 171.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -81.72 57.42 3.38 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.646 -0.658 . . . . 0.0 110.164 -175.316 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.2 t -69.4 -25.86 64.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.392 -0.817 . . . . 0.0 110.547 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.8 mmtt -80.48 -26.08 38.45 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.526 -0.734 . . . . 0.0 110.396 178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.416 ' CE1' ' ND1' ' A' ' 39' ' ' HIS . 72.6 t80 -84.66 -28.97 26.04 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.472 -0.768 . . . . 0.0 110.192 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.739 HD21 ' HG2' ' A' ' 43' ' ' GLU . 5.8 tt -60.26 -34.09 73.24 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.55 -0.719 . . . . 0.0 110.238 178.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -104.17 28.71 6.56 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.237 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -110.1 -48.8 3.14 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.583 -0.698 . . . . 0.0 110.166 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.416 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 41.1 m80 -115.73 84.48 12.8 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.593 -0.692 . . . . 0.0 110.133 177.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.05 91.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.361 0 O-C-N 123.408 1.215 . . . . 0.0 111.05 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.04 -46.32 0.07 OUTLIER Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 177.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -166.81 36.28 0.23 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.739 ' HG2' HD21 ' A' ' 36' ' ' LEU . 7.5 mt-10 55.53 -87.08 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.68 -0.894 . . . . 0.0 110.807 178.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.7 106.49 18.37 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.084 -1.01 . . . . 0.0 110.355 177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.62 26.6 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.361 -0.837 . . . . 0.0 110.481 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.59 HD13 HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -87.65 53.12 2.67 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.456 -0.777 . . . . 0.0 110.299 177.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.511 ' CG ' HG23 ' A' ' 55' ' ' THR . 0.0 OUTLIER 52.23 75.36 0.23 Allowed 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.386 -0.821 . . . . 0.0 110.957 177.537 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.688 ' CD ' HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -169.13 40.01 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.542 -0.724 . . . . 0.0 110.278 177.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -129.24 -43.94 1.29 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.545 -0.722 . . . . 0.0 110.171 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -112.9 28.65 8.61 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.517 -0.739 . . . . 0.0 110.221 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.02 -144.71 49.72 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.93 30.23 3.05 Favored Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.2 t70 52.72 79.89 0.11 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.417 -1.049 . . . . 0.0 110.796 178.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.66 -166.87 0.06 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.426 -0.797 . . . . 0.0 110.782 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.511 HG23 ' CG ' ' A' ' 47' ' ' ARG . 3.7 m -100.31 47.49 0.93 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.56 -0.712 . . . . 0.0 110.186 178.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 52.74 -153.8 0.23 Allowed 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.324 -0.86 . . . . 0.0 110.498 178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -58.67 -36.41 74.12 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.372 -0.83 . . . . 0.0 110.109 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.33 -158.51 0.17 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.551 -0.718 . . . . 0.0 109.974 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -77.28 135.76 38.45 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.571 -0.706 . . . . 0.0 110.17 177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -82.1 149.64 27.92 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.594 -0.691 . . . . 0.0 110.157 178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.413 ' H ' HG22 ' A' ' 61' ' ' VAL . 34.2 m -100.15 35.84 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.614 -0.679 . . . . 0.0 110.32 178.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.35 -58.98 9.58 Favored Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.3 p-80 -111.33 34.07 4.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.614 -0.933 . . . . 0.0 110.303 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.6 m -118.24 150.19 39.85 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.605 -0.684 . . . . 0.0 110.228 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 72.7 p -124.2 -41.97 2.16 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.566 -0.709 . . . . 0.0 110.217 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -94.49 49.89 1.31 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.56 -0.712 . . . . 0.0 110.214 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.81 82.82 7.35 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.584 -0.697 . . . . 0.0 110.196 178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.2 mtt180 -135.58 -50.67 0.73 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.598 -0.689 . . . . 0.0 110.19 178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -139.03 40.09 2.13 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.564 -0.71 . . . . 0.0 110.231 178.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HA ' ' CE1' ' A' ' 74' ' ' TYR . 1.2 tt -81.35 -27.41 34.92 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.568 -0.708 . . . . 0.0 110.306 177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.5 p -94.54 43.35 1.1 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.526 -0.734 . . . . 0.0 110.205 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' HA ' HD12 ' A' ' 75' ' ' ILE . 5.9 tttt -146.11 -67.58 0.28 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.57 -0.706 . . . . 0.0 110.154 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.627 HG23 ' CD1' ' A' ' 74' ' ' TYR . 10.8 t -67.05 -12.6 60.36 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.504 -0.748 . . . . 0.0 111.011 178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.627 ' CD1' HG23 ' A' ' 73' ' ' THR . 78.3 m-85 -94.48 25.27 4.01 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.215 -0.928 . . . . 0.0 110.453 177.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.458 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.5 mt -114.08 164.88 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.36 -0.838 . . . . 0.0 110.403 179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.531 HD12 ' CH2' ' A' ' 22' ' ' TRP . 29.1 pt -127.62 -36.7 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 121.617 -0.677 . . . . 0.0 110.867 179.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.12 -151.37 9.02 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' HG13 ' A' ' 4' ' ' VAL . 22.8 mt-10 -120.54 -175.41 3.01 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.997 . . . . 0.0 110.318 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.071 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -109.86 147.12 33.91 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.597 -0.689 . . . . 0.0 110.162 177.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.461 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -61.19 112.16 5.39 Favored Pre-proline 0 N--CA 1.496 1.833 0 O-C-N 121.535 -0.728 . . . . 0.0 109.969 177.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.05 -26.11 24.58 Favored 'Trans proline' 0 N--CA 1.492 1.416 0 O-C-N 123.103 1.054 . . . . 0.0 111.1 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.37 -25.84 64.59 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.587 -0.696 . . . . 0.0 110.527 178.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.609 ' HB3' HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -99.74 -22.64 15.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.469 -0.769 . . . . 0.0 110.724 178.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.676 ' HG2' HD22 ' A' ' 79' ' ' LEU . 5.9 mmm180 -56.11 -172.63 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.334 -0.854 . . . . 0.0 110.647 178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.6 m -74.03 76.89 1.71 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.593 -0.692 . . . . 0.0 110.309 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -169.61 75.69 0.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.535 -0.728 . . . . 0.0 110.157 177.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 87' ' ' ILE . 50.8 mm -97.02 28.54 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.499 -0.75 . . . . 0.0 110.075 177.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.65 -176.19 5.22 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 110.077 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.8 mmtm -137.47 63.09 39.85 Favored Pre-proline 0 N--CA 1.494 1.767 0 O-C-N 121.582 -0.699 . . . . 0.0 110.189 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.1 159.22 5.73 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 O-C-N 123.27 1.142 . . . . 0.0 110.972 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.7 t 52.78 -159.26 0.13 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.394 -0.817 . . . . 0.0 110.802 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 52.93 31.73 11.37 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.446 -0.784 . . . . 0.0 110.76 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -140.63 -45.25 0.4 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.566 -0.709 . . . . 0.0 110.182 178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.0 mt . . . . . 0 N--CA 1.493 1.712 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.255 178.042 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.07 0.462 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -124.17 28.86 6.59 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.513 -0.742 . . . . 0.0 110.229 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -103.34 109.09 20.58 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.611 -0.68 . . . . 0.0 110.225 177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 5' ' ' LYS . 87.0 t 56.79 166.28 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 CA-C-O 121.534 0.683 . . . . 0.0 110.704 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 4' ' ' VAL . 66.1 tttt -144.48 142.32 30.18 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.575 -0.703 . . . . 0.0 109.649 177.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -79.9 78.89 6.49 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.558 -0.713 . . . . 0.0 110.346 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -61.76 -168.78 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.635 -0.666 . . . . 0.0 109.914 176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 ' O ' HD12 ' A' ' 12' ' ' ILE . 75.7 p -125.02 177.34 6.11 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.421 -0.799 . . . . 0.0 110.183 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.681 HD11 HD21 ' A' ' 79' ' ' LEU . 3.9 mp -83.32 -44.25 15.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.611 -0.68 . . . . 0.0 110.169 178.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -60.67 -26.95 67.47 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 110.458 178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -82.19 -40.85 21.15 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.477 -0.765 . . . . 0.0 110.281 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.845 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.9 mt -77.47 -26.78 15.42 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.595 -0.69 . . . . 0.0 110.217 178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -90.19 49.13 1.65 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.461 -0.774 . . . . 0.0 110.341 178.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.3 tttp -159.95 32.47 0.18 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.536 -0.728 . . . . 0.0 110.251 177.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -121.7 92.96 3.85 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.541 -0.725 . . . . 0.0 110.206 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 pttt -167.7 32.67 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.56 -0.713 . . . . 0.0 110.308 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -168.57 -40.44 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.566 -0.708 . . . . 0.0 110.256 178.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.7 p -82.2 57.91 3.78 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.465 -0.772 . . . . 0.0 110.333 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 tttp 55.85 173.67 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.268 -0.895 . . . . 0.0 110.713 177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 t 53.45 179.43 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.614 -0.679 . . . . 0.0 110.844 178.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.7 t -158.51 133.73 8.58 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.556 -0.715 . . . . 0.0 110.302 178.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.1 m95 -104.42 75.45 1.24 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.524 -0.735 . . . . 0.0 110.094 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.5 t -81.59 145.04 9.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.5 -0.75 . . . . 0.0 109.897 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.845 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -116.78 138.18 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.611 -0.681 . . . . 0.0 109.797 177.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.755 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -88.54 -38.21 15.1 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.605 -0.684 . . . . 0.0 109.909 177.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -170.08 -39.69 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.573 -0.704 . . . . 0.0 109.688 175.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -138.98 -44.29 0.47 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.728 -0.607 . . . . 0.0 109.71 175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -69.42 133.64 48.01 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.538 -0.726 . . . . 0.0 110.334 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -94.88 128.18 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.694 -0.629 . . . . 0.0 109.522 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.755 ' CE1' HD23 ' A' ' 25' ' ' LEU . 21.6 m-85 -99.69 124.58 45.06 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.731 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' HB2' HG21 ' A' ' 76' ' ' ILE . 38.9 t70 -98.15 79.22 2.56 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 170.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -88.33 48.41 1.63 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.631 -0.668 . . . . 0.0 110.619 -174.583 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -69.55 -23.99 63.65 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.36 -0.837 . . . . 0.0 110.426 176.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.84 -26.73 31.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.469 -0.769 . . . . 0.0 110.276 177.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.469 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 57.2 t80 -90.52 17.15 7.75 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.463 -0.773 . . . . 0.0 110.971 177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.57 HD11 ' O ' ' A' ' 43' ' ' GLU . 1.1 tt -106.52 -29.28 9.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.243 -0.911 . . . . 0.0 110.21 178.437 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -97.62 -25.51 15.1 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.596 -0.69 . . . . 0.0 110.475 178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -79.79 -28.21 40.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.431 -0.793 . . . . 0.0 110.308 178.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.469 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 28.7 m80 -117.78 82.66 16.88 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.547 -0.721 . . . . 0.0 110.228 178.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.0 103.25 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.307 0 O-C-N 123.372 1.196 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.455 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -127.02 -44.91 0.23 Allowed Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 143.3 90.22 0.12 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.57 ' O ' HD11 ' A' ' 36' ' ' LEU . 22.4 mt-10 56.28 -86.7 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.588 -0.948 . . . . 0.0 110.765 178.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.19 96.5 7.52 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.068 -1.02 . . . . 0.0 110.179 177.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.485 HG23 HD12 ' A' ' 46' ' ' LEU . 34.6 m -73.13 -22.95 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.439 -0.788 . . . . 0.0 110.603 178.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -73.15 63.57 0.71 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.438 -0.789 . . . . 0.0 110.361 178.438 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.0 tpt180 51.5 25.53 2.75 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.328 -0.857 . . . . 0.0 111.013 177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 52.45 53.27 12.59 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.362 -0.836 . . . . 0.0 110.819 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 53.01 -178.21 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.396 -0.815 . . . . 0.0 110.746 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.78 87.41 0.04 OUTLIER 'General case' 0 N--CA 1.501 2.081 0 O-C-N 121.348 -0.845 . . . . 0.0 110.767 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.85 176.95 27.61 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.59 75.89 0.04 OUTLIER Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -158.04 -167.72 2.3 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.548 -0.972 . . . . 0.0 110.162 178.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.72 42.62 1.09 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.566 -0.709 . . . . 0.0 110.212 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.2 m 52.87 41.14 31.82 Favored 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.411 -0.805 . . . . 0.0 110.8 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.58 -64.39 1.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.598 -0.689 . . . . 0.0 110.175 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -91.25 78.16 5.83 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.596 -0.69 . . . . 0.0 110.121 177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -82.44 -50.17 9.16 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.503 -0.748 . . . . 0.0 110.192 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -136.88 31.74 2.72 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.618 -0.676 . . . . 0.0 110.227 178.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 p30 38.47 -155.95 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.518 ' O ' HG22 ' A' ' 61' ' ' VAL . 7.6 p -117.27 63.83 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.496 -0.753 . . . . 0.0 110.209 178.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -108.34 -44.76 1.13 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -87.87 145.6 25.98 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.602 -0.94 . . . . 0.0 110.214 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.51 98.43 8.93 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.594 -0.691 . . . . 0.0 110.171 178.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -154.79 166.88 32.07 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.63 -0.669 . . . . 0.0 110.221 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -148.99 -44.97 0.14 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.6 -0.688 . . . . 0.0 110.201 178.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.62 -70.22 0.56 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.567 -0.708 . . . . 0.0 110.218 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.9 mtp180 -83.05 -173.45 4.72 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.645 -0.659 . . . . 0.0 110.216 177.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -150.87 -179.15 7.04 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.485 -0.759 . . . . 0.0 110.177 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 4.5 tp -81.22 -25.34 36.77 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.631 -0.668 . . . . 0.0 110.439 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.1 p -72.06 64.83 0.54 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.498 -0.751 . . . . 0.0 110.04 178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -155.23 -46.13 0.08 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.503 -0.748 . . . . 0.0 110.039 177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.4 p -100.12 27.26 5.72 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.585 -0.697 . . . . 0.0 110.105 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -129.61 28.82 5.12 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.56 -0.713 . . . . 0.0 110.034 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 30' ' ' TYR . 72.6 mt -110.4 164.55 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.528 -0.732 . . . . 0.0 110.157 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.512 HG21 ' HB2' ' A' ' 31' ' ' ASP . 33.9 pt -125.44 -34.66 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.573 -0.704 . . . . 0.0 111.066 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -178.83 -158.58 21.6 Favored Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -117.91 -169.57 1.71 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.587 -0.949 . . . . 0.0 110.225 177.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.681 HD21 HD11 ' A' ' 9' ' ' LEU . 9.1 tt -106.36 150.8 25.64 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.577 -0.702 . . . . 0.0 110.115 177.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.477 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -58.78 110.78 2.89 Favored Pre-proline 0 N--CA 1.498 1.927 0 O-C-N 121.527 -0.733 . . . . 0.0 110.256 178.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.38 -24.1 26.47 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.15 1.079 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.79 -27.31 64.89 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.521 -0.737 . . . . 0.0 110.502 178.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.84 -28.16 10.8 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.466 -0.771 . . . . 0.0 110.348 178.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.524 ' HB2' HD22 ' A' ' 79' ' ' LEU . 2.1 ttp180 -75.74 -41.11 54.26 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.521 -0.737 . . . . 0.0 110.22 178.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.52 -154.38 0.28 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.598 -0.689 . . . . 0.0 110.131 178.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.78 79.13 1.47 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.559 -0.713 . . . . 0.0 109.967 178.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 87' ' ' ILE . 3.3 mp -88.72 48.35 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.508 -0.745 . . . . 0.0 110.308 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.8 18.72 6.18 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.388 -0.82 . . . . 0.0 110.951 177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' N ' ' CD ' ' A' ' 90' ' ' PRO . 16.4 mttt -85.25 -50.19 0.55 Allowed Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.276 -0.89 . . . . 0.0 110.624 178.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 89' ' ' LYS . 50.0 Cg_exo -51.41 99.59 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 O-C-N 123.114 1.06 . . . . 0.0 111.121 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.8 m -167.27 96.44 0.49 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.626 -0.671 . . . . 0.0 110.127 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 56.26 -86.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.684 -0.635 . . . . 0.0 110.815 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 p -123.8 155.86 37.19 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.098 -1.001 . . . . 0.0 110.175 178.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.517 ' C ' HD23 ' A' ' 94' ' ' LEU . 5.7 tt . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.199 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.108 0.48 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -117.49 -53.82 2.4 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.561 -0.712 . . . . 0.0 110.217 178.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -165.59 37.32 0.06 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.608 -0.682 . . . . 0.0 110.215 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 65.1 t -143.71 135.3 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.516 -0.74 . . . . 0.0 110.065 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -104.28 145.33 30.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.688 -0.632 . . . . 0.0 109.542 174.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.78 83.65 5.69 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.506 -0.747 . . . . 0.0 110.426 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -73.34 135.07 44.29 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.651 -0.655 . . . . 0.0 109.893 176.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.5 p -74.95 163.64 27.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.529 -0.732 . . . . 0.0 110.358 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.648 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.7 tp -78.78 -26.98 44.48 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.606 -0.684 . . . . 0.0 110.428 178.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -75.87 -27.69 57.85 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.482 -0.761 . . . . 0.0 110.371 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 7.1 tt0 -75.13 -39.54 60.44 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.502 -0.749 . . . . 0.0 110.311 178.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.698 HD12 HD12 ' A' ' 79' ' ' LEU . 80.6 mt -68.06 -26.29 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.503 -0.748 . . . . 0.0 110.242 178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -90.12 48.72 1.6 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.458 -0.776 . . . . 0.0 110.407 177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -157.79 28.87 0.27 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.448 -0.782 . . . . 0.0 110.096 177.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 57.6 m-70 -114.65 -167.17 1.18 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.538 -0.726 . . . . 0.0 110.304 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -143.87 -167.65 2.65 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.539 -0.726 . . . . 0.0 110.12 177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -105.12 -156.14 0.56 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.534 -0.729 . . . . 0.0 110.208 177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 59.38 -81.75 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.183 0 O-C-N 121.613 -0.68 . . . . 0.0 110.918 177.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.505 ' O ' HG23 ' A' ' 33' ' ' THR . 17.6 tttm -58.03 -34.41 70.03 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.22 -0.925 . . . . 0.0 110.563 179.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.3 p -168.0 166.66 13.1 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.506 -0.746 . . . . 0.0 110.26 178.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.724 ' HB ' HD11 ' A' ' 36' ' ' LEU . 8.5 t -140.96 122.19 14.8 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.532 -0.73 . . . . 0.0 110.466 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.481 ' CE3' HG11 ' A' ' 29' ' ' VAL . 5.8 m95 -99.39 98.24 9.19 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.574 -0.704 . . . . 0.0 109.991 176.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG11 ' O ' ' A' ' 46' ' ' LEU . 58.1 t -103.43 127.75 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 121.564 -0.71 . . . . 0.0 110.382 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' HD22 ' A' ' 25' ' ' LEU . 40.7 mm -85.78 149.13 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.544 -0.722 . . . . 0.0 110.132 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.453 HD22 ' O ' ' A' ' 24' ' ' ILE . 0.6 OUTLIER -126.0 -76.97 0.58 Allowed 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.557 -0.714 . . . . 0.0 109.633 177.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 15.7 p80 -135.79 91.58 2.72 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.478 -0.764 . . . . 0.0 109.338 174.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.447 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 23.3 t-160 55.22 22.02 4.42 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.426 -0.797 . . . . 0.0 110.506 -177.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -127.55 149.82 49.97 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.384 -0.822 . . . . 0.0 110.013 177.675 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CE3' ' A' ' 22' ' ' TRP . 48.8 t -111.54 133.75 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.427 -0.796 . . . . 0.0 110.011 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.475 ' HB3' HD11 ' A' ' 32' ' ' LEU . 12.8 m-85 -106.65 136.17 46.91 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.603 -0.686 . . . . 0.0 111.07 -177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.631 ' HB2' HG21 ' A' ' 76' ' ' ILE . 19.9 t70 -110.04 84.03 1.86 Allowed 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 169.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -91.79 44.12 1.16 Allowed 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.682 -0.636 . . . . 0.0 110.723 -174.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 19' ' ' LYS . 4.0 m -68.93 -31.24 69.99 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.466 -0.771 . . . . 0.0 109.957 176.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -73.56 -29.09 62.22 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.573 -0.704 . . . . 0.0 110.042 177.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -85.03 -27.32 26.46 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.514 -0.742 . . . . 0.0 109.879 176.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.724 HD11 ' HB ' ' A' ' 21' ' ' THR . 3.9 mt -58.44 -35.64 72.43 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.558 -0.713 . . . . 0.0 110.232 178.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -95.65 23.42 6.15 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.562 -0.711 . . . . 0.0 110.53 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.403 ' OE2' ' CE1' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -106.71 -56.26 2.22 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.463 -0.773 . . . . 0.0 109.976 177.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.403 ' CE1' ' OE2' ' A' ' 38' ' ' GLU . 52.9 m80 -113.73 91.05 20.06 Favored Pre-proline 0 N--CA 1.492 1.642 0 O-C-N 121.553 -0.717 . . . . 0.0 110.019 177.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.32 92.08 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.325 0 O-C-N 123.433 1.228 . . . . 0.0 111.158 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -100.38 -60.67 0.82 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.356 -1.498 . . . . 0.0 109.356 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 161.53 -29.97 0.31 Allowed Glycine 0 N--CA 1.493 2.454 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' HG13 ' A' ' 45' ' ' VAL . 15.1 pt-20 -164.41 -156.41 0.33 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.601 -0.94 . . . . 0.0 109.95 178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.31 101.84 0.15 Allowed 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.375 -0.828 . . . . 0.0 110.21 177.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 43' ' ' GLU . 35.4 m -92.1 19.68 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.554 -0.716 . . . . 0.0 111.005 178.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.668 HD13 HD13 ' A' ' 32' ' ' LEU . 1.4 mp -102.06 71.88 1.29 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.375 -0.828 . . . . 0.0 110.094 176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 53.53 41.95 32.01 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.542 -0.724 . . . . 0.0 110.695 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 55.56 -86.69 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.692 -0.63 . . . . 0.0 110.9 177.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -160.52 -63.47 0.06 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.081 -1.012 . . . . 0.0 110.21 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -144.41 -168.64 2.94 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.173 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.19 -98.53 0.16 Allowed Glycine 0 N--CA 1.492 2.387 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 178.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -146.18 30.63 1.61 Allowed Glycine 0 N--CA 1.493 2.446 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.83 -174.83 2.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.561 -0.964 . . . . 0.0 110.205 178.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.82 -72.23 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.566 -0.709 . . . . 0.0 110.145 177.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 56' ' ' GLU . 2.4 m 55.2 175.85 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.432 -0.793 . . . . 0.0 110.596 178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.477 ' H ' HG22 ' A' ' 55' ' ' THR . 3.1 tt0 -87.14 -41.66 13.61 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.508 -0.745 . . . . 0.0 110.213 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 61.5 m-80 -82.0 82.2 7.69 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.507 -0.746 . . . . 0.0 110.113 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 59' ' ' GLU . 37.3 p90 -108.16 -28.58 9.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.559 -0.713 . . . . 0.0 110.305 178.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 46.9 tt0 -81.46 109.1 15.61 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.577 -0.702 . . . . 0.0 110.218 178.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.7 40.87 2.03 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.54 -0.725 . . . . 0.0 110.245 178.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.4 m -61.15 -165.07 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.285 178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -63.05 -43.58 98.59 Favored Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -80.96 110.11 16.17 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.62 -0.929 . . . . 0.0 110.243 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m -83.9 -29.14 27.4 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.614 -0.679 . . . . 0.0 110.201 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.474 HG23 ' O ' ' A' ' 65' ' ' THR . 7.4 t -138.13 127.62 24.83 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.495 -0.753 . . . . 0.0 110.257 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -163.97 -60.15 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.532 -0.73 . . . . 0.0 110.182 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.41 -159.39 0.58 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.622 -0.674 . . . . 0.0 110.238 178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -150.29 -52.56 0.14 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.58 -0.7 . . . . 0.0 110.168 178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -117.68 53.32 0.94 Allowed 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.577 -0.702 . . . . 0.0 110.306 178.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.85 -28.71 32.86 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.587 -0.695 . . . . 0.0 110.278 177.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.552 ' O ' HD11 ' A' ' 75' ' ' ILE . 4.4 p -82.27 -21.27 36.3 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.568 -0.707 . . . . 0.0 110.676 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.1 mttm -87.71 -20.44 26.24 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.404 -0.81 . . . . 0.0 110.997 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.7 p -99.47 -24.13 14.88 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.373 -0.829 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -92.19 44.77 1.18 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.385 -0.822 . . . . 0.0 110.484 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 71' ' ' SER . 51.9 mt -119.25 163.99 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.433 -0.792 . . . . 0.0 110.038 178.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.631 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.5 pt -126.6 -36.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 121.509 -0.745 . . . . 0.0 111.218 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -172.57 -148.69 6.36 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.696 -1.362 . . . . 0.0 109.696 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 35.0 mt-10 -133.29 -174.87 3.62 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.582 -0.952 . . . . 0.0 110.625 178.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.698 HD12 HD12 ' A' ' 12' ' ' ILE . 2.0 tp -100.53 150.12 23.01 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.597 -0.689 . . . . 0.0 110.231 177.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.4 t-80 -72.09 129.09 88.28 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.478 -0.764 . . . . 0.0 109.98 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.52 -21.25 23.5 Favored 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.217 1.114 . . . . 0.0 111.43 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -49.91 -48.22 51.76 Favored 'General case' 0 N--CA 1.503 2.212 0 O-C-N 121.298 -0.876 . . . . 0.0 111.486 -178.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.648 ' HB3' HD22 ' A' ' 9' ' ' LEU . 6.6 m-20 -94.29 -26.99 16.37 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.458 -0.776 . . . . 0.0 110.423 179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.447 ' CD ' ' CD2' ' A' ' 27' ' ' HIS . 5.5 ttp85 -61.74 -157.94 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.456 -0.778 . . . . 0.0 110.041 178.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.2 m -61.57 88.27 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.578 -0.701 . . . . 0.0 110.096 177.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.91 47.55 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.554 -0.717 . . . . 0.0 110.197 178.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 49.9 mm -111.12 -30.0 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.524 -0.735 . . . . 0.0 110.028 178.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.64 126.14 31.4 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.509 -0.745 . . . . 0.0 110.222 178.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -144.88 95.31 5.25 Favored Pre-proline 0 N--CA 1.493 1.681 0 O-C-N 121.526 -0.734 . . . . 0.0 110.237 178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.93 152.27 18.22 Favored 'Trans proline' 0 N--CA 1.492 1.411 0 O-C-N 123.437 1.23 . . . . 0.0 111.047 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.8 p -112.32 32.54 5.49 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.507 -0.745 . . . . 0.0 110.231 178.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' C ' HG23 ' A' ' 93' ' ' THR . 2.2 pp20? -157.46 130.96 7.89 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.543 -0.723 . . . . 0.0 110.311 178.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 HG23 ' C ' ' A' ' 92' ' ' GLU . 70.3 p -148.43 -64.03 0.25 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.592 -0.693 . . . . 0.0 110.196 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 N--CA 1.493 1.688 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.239 178.072 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.018 0.437 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt 55.7 -86.74 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.717 -0.614 . . . . 0.0 110.892 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -104.17 159.35 15.77 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.044 -1.035 . . . . 0.0 110.2 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.484 HG11 ' CD ' ' A' ' 78' ' ' GLU . 78.5 t 56.86 166.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.113 0 CA-C-O 121.489 0.661 . . . . 0.0 110.735 178.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' N ' HG12 ' A' ' 4' ' ' VAL . 8.3 tttt -137.32 -154.38 0.54 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.44 -0.788 . . . . 0.0 109.737 178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -137.11 79.58 1.76 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.399 -0.813 . . . . 0.0 110.262 177.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.6 -165.6 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.633 -0.667 . . . . 0.0 109.987 177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 63.6 p -121.43 172.36 8.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.52 -0.737 . . . . 0.0 110.45 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.001 HD12 HD11 ' A' ' 79' ' ' LEU . 2.6 tp -78.09 -30.7 49.69 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.651 -0.656 . . . . 0.0 110.188 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -69.97 -29.13 66.17 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -80.53 -28.4 37.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.974 HG21 HD11 ' A' ' 24' ' ' ILE . 72.6 mt -90.21 -30.01 5.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.546 -0.721 . . . . 0.0 109.989 178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -90.31 48.91 1.61 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.312 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' CD2' ' A' ' 15' ' ' HIS . 32.2 pttt -154.4 29.41 0.44 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.725 . . . . 0.0 110.259 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 72.0 m-70 -119.67 30.71 6.92 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.517 -0.739 . . . . 0.0 110.222 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -94.73 42.89 1.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.56 -0.713 . . . . 0.0 110.176 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -167.86 -41.03 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.575 -0.703 . . . . 0.0 110.176 178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 83.7 p -62.87 -159.42 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.509 -0.745 . . . . 0.0 110.078 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -104.49 -28.68 11.16 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.646 -0.659 . . . . 0.0 110.316 178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.867 ' HA ' HG22 ' A' ' 33' ' ' THR . 15.4 m -83.57 104.71 13.92 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.584 -0.697 . . . . 0.0 110.247 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' THR . 9.6 t -79.97 118.53 21.8 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.572 -0.705 . . . . 0.0 110.457 178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.486 ' CD1' ' CE1' ' A' ' 15' ' ' HIS . 6.7 m95 -95.33 73.5 3.31 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.521 -0.737 . . . . 0.0 109.911 177.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.502 HG13 ' HG2' ' A' ' 47' ' ' ARG . 66.2 t -87.35 160.05 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.546 -0.721 . . . . 0.0 110.042 178.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.974 HD11 HG21 ' A' ' 12' ' ' ILE . 4.3 mt -121.2 144.9 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.548 -0.72 . . . . 0.0 109.897 177.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -113.43 -73.31 0.67 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.48 -0.763 . . . . 0.0 110.052 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -119.59 81.57 1.74 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.528 -0.732 . . . . 0.0 109.765 176.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 54.71 22.66 4.24 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.405 -0.809 . . . . 0.0 110.607 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.478 ' O ' HG23 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -122.95 140.05 53.42 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.465 -0.772 . . . . 0.0 109.811 177.412 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.663 HG12 HD11 ' A' ' 76' ' ' ILE . 43.6 t -91.14 126.66 43.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.516 -0.74 . . . . 0.0 109.988 179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.9 m-85 -107.68 129.78 54.98 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.675 -0.64 . . . . 0.0 111.051 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.603 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.3 t0 -102.46 77.73 1.66 Allowed 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 170.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -84.13 54.62 3.01 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.69 -0.632 . . . . 0.0 110.372 -174.446 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.867 HG22 ' HA ' ' A' ' 20' ' ' SER . 76.7 p -63.74 -58.43 6.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.357 -0.839 . . . . 0.0 110.322 178.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -58.54 -20.12 43.63 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.586 -0.696 . . . . 0.0 110.847 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.755 ' CE2' HD13 ' A' ' 70' ' ' LEU . 2.4 t80 -71.8 -28.35 63.54 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.315 -0.866 . . . . 0.0 110.284 178.502 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HA ' HD23 ' A' ' 36' ' ' LEU . 5.4 mt -68.15 -27.37 66.37 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.643 -0.66 . . . . 0.0 110.273 178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -97.27 -27.92 14.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.562 -0.711 . . . . 0.0 110.428 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.71 -28.25 33.54 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.507 -0.746 . . . . 0.0 110.357 178.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.493 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 48.3 m80 -122.54 96.71 45.48 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.551 -0.718 . . . . 0.0 110.305 178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.97 102.48 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.37 0 O-C-N 123.38 1.2 . . . . 0.0 111.009 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 163.14 -94.29 0.12 Allowed Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' H ' HG22 ' A' ' 45' ' ' VAL . . . 98.83 -68.89 0.61 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 177.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.25 -28.21 69.0 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.519 -0.989 . . . . 0.0 110.246 178.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -87.58 -54.3 4.35 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.624 -0.673 . . . . 0.0 110.276 178.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 42' ' ' GLY . 32.6 m -60.49 167.08 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.538 -0.726 . . . . 0.0 110.232 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.951 HD13 HD13 ' A' ' 32' ' ' LEU . 85.0 mt 52.2 -89.15 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.541 -0.724 . . . . 0.0 111.401 175.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.502 ' HG2' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -77.13 75.39 3.69 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.909 -1.12 . . . . 0.0 110.104 177.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -60.62 -26.23 66.86 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.577 -0.702 . . . . 0.0 110.344 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 58.83 -83.5 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.538 -0.726 . . . . 0.0 110.684 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -76.9 89.06 3.48 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.215 -0.928 . . . . 0.0 110.177 178.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 140.82 102.98 0.51 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -148.34 142.69 10.24 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 109.58 -1.408 . . . . 0.0 109.58 178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -167.79 -63.53 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.534 -0.98 . . . . 0.0 110.21 178.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -149.87 -71.86 0.18 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.594 -0.691 . . . . 0.0 110.119 178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -150.19 55.2 0.93 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.582 -0.699 . . . . 0.0 110.255 178.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -60.79 -162.38 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.504 -0.748 . . . . 0.0 110.076 177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -59.44 102.03 0.13 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.387 -0.82 . . . . 0.0 110.289 177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.81 -52.6 64.39 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.486 -0.759 . . . . 0.0 110.224 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' HG2' ' CE1' ' A' ' 35' ' ' PHE . 9.4 mp0 -145.36 -72.32 0.25 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.476 -0.765 . . . . 0.0 110.2 178.01 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -134.92 170.03 16.49 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.513 -0.742 . . . . 0.0 110.301 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.37 150.51 5.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 121.621 -0.674 . . . . 0.0 110.311 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' O ' ' CG ' ' A' ' 63' ' ' HIS . . . 105.37 123.09 5.15 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.597 -1.401 . . . . 0.0 109.597 178.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' CG ' ' O ' ' A' ' 62' ' ' GLY . 29.2 m80 -153.48 -64.5 0.15 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.624 -0.927 . . . . 0.0 110.189 177.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.6 m 57.86 -84.64 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.131 0 O-C-N 121.586 -0.696 . . . . 0.0 110.757 178.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.6 t -59.98 -25.61 65.38 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.155 -0.966 . . . . 0.0 110.497 178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -82.11 87.97 6.47 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.503 -0.748 . . . . 0.0 110.272 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.6 -38.07 20.36 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.6 -0.687 . . . . 0.0 110.22 178.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.81 7.28 24.46 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.578 -0.701 . . . . 0.0 111.031 177.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 53.6 -179.17 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.067 -1.021 . . . . 0.0 110.755 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.755 HD13 ' CE2' ' A' ' 35' ' ' PHE . 11.0 mt -90.13 -27.19 19.78 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.582 -0.699 . . . . 0.0 110.385 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.2 p -71.94 64.49 0.51 Allowed 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.447 -0.783 . . . . 0.0 110.243 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -168.51 -57.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.518 -0.739 . . . . 0.0 110.182 178.085 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 p -79.78 -18.39 51.13 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.535 -0.728 . . . . 0.0 110.709 177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -94.69 36.52 1.17 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.471 -0.768 . . . . 0.0 110.41 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.451 HG22 ' N ' ' A' ' 76' ' ' ILE . 69.0 mt -112.5 165.71 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.487 -0.758 . . . . 0.0 110.027 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.663 HD11 HG12 ' A' ' 29' ' ' VAL . 31.7 pt -125.74 -35.39 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.986 0 O-C-N 121.534 -0.729 . . . . 0.0 111.026 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.95 -161.14 25.61 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' CD ' HG11 ' A' ' 4' ' ' VAL . 5.1 mt-10 -107.87 -174.99 2.66 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.955 . . . . 0.0 110.083 177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 9' ' ' LEU . 8.3 tt -113.62 144.06 43.53 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.605 -0.684 . . . . 0.0 110.175 176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.46 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.78 112.17 5.25 Favored Pre-proline 0 N--CA 1.496 1.846 0 O-C-N 121.542 -0.724 . . . . 0.0 110.02 177.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.11 -24.67 20.66 Favored 'Trans proline' 0 N--CA 1.493 1.443 0 O-C-N 123.119 1.063 . . . . 0.0 111.212 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.415 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.9 t70 -60.76 -28.34 68.64 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 121.56 -0.713 . . . . 0.0 110.215 178.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.655 ' HB3' HD13 ' A' ' 9' ' ' LEU . 10.2 m-20 -93.96 -22.22 18.71 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.59 -0.694 . . . . 0.0 110.633 178.209 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.632 ' HG2' HD22 ' A' ' 79' ' ' LEU . 1.4 mmm180 -53.45 -63.18 1.23 Allowed 'General case' 0 N--CA 1.502 2.156 0 O-C-N 121.35 -0.844 . . . . 0.0 110.479 178.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.6 t -69.43 -66.08 0.63 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.584 -0.697 . . . . 0.0 109.572 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.75 -76.63 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.554 -0.716 . . . . 0.0 109.409 175.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.435 ' HA ' HD13 ' A' ' 87' ' ' ILE . 19.9 mm -148.97 -77.52 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.568 -0.708 . . . . 0.0 109.108 176.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.37 129.15 34.63 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.521 -0.737 . . . . 0.0 110.175 178.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.7 ptmt -160.72 62.11 1.61 Allowed Pre-proline 0 N--CA 1.495 1.805 0 O-C-N 121.579 -0.701 . . . . 0.0 110.343 178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.94 -175.92 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.362 0 O-C-N 123.306 1.161 . . . . 0.0 111.032 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 m -93.46 -158.8 0.64 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.584 -0.698 . . . . 0.0 110.19 177.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.19 176.52 1.29 Allowed 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.607 -0.683 . . . . 0.0 110.191 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 69.2 m -131.66 -64.59 0.79 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.593 -0.692 . . . . 0.0 110.184 178.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.643 HD23 ' OXT' ' A' ' 94' ' ' LEU . 0.8 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 118.058 -0.973 . . . . 0.0 110.173 178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.106 0.479 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -140.82 29.5 1.89 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.572 -0.705 . . . . 0.0 110.353 178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -164.91 138.7 4.91 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.592 -0.692 . . . . 0.0 110.193 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG13 ' HG3' ' A' ' 78' ' ' GLU . 82.3 t 53.79 102.3 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.49 -0.756 . . . . 0.0 110.649 177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -154.51 0.18 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.543 -0.723 . . . . 0.0 109.784 175.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.437 ' CE1' ' HD3' ' A' ' 81' ' ' PRO . 7.6 m-85 -128.35 90.11 3.02 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.418 -0.801 . . . . 0.0 110.321 177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' HG13 ' A' ' 76' ' ' ILE . 41.2 m-85 -74.78 136.73 41.67 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.631 -0.668 . . . . 0.0 110.044 177.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.6 p -79.86 167.49 20.48 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.595 -0.69 . . . . 0.0 110.224 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.885 HD12 HD11 ' A' ' 79' ' ' LEU . 7.8 tp -77.6 -27.99 51.45 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.599 -0.688 . . . . 0.0 110.283 178.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.62 -28.6 56.16 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.518 -0.739 . . . . 0.0 110.267 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.43 -34.47 41.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.504 -0.748 . . . . 0.0 110.225 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.414 HD13 HD12 ' A' ' 79' ' ' LEU . 73.2 mt -79.38 -29.18 13.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.49 -0.756 . . . . 0.0 109.951 177.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -90.85 20.02 5.1 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.506 -0.746 . . . . 0.0 110.976 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.5 tptt -136.32 49.1 2.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.333 -0.855 . . . . 0.0 110.25 178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.2 m-70 -121.01 65.46 0.86 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.613 -0.679 . . . . 0.0 110.148 178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -69.34 73.23 0.33 Allowed 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.561 -0.712 . . . . 0.0 110.263 178.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -114.24 167.14 10.95 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.49 -0.756 . . . . 0.0 110.197 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.6 t -112.93 -32.93 6.22 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.572 -0.705 . . . . 0.0 110.236 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.59 19.22 10.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.593 -0.692 . . . . 0.0 110.737 178.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -152.78 152.9 32.16 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.346 -0.846 . . . . 0.0 110.292 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -147.16 125.96 12.66 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.531 -0.731 . . . . 0.0 110.334 178.137 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.4 m95 -94.08 82.07 4.15 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.609 -0.682 . . . . 0.0 110.113 177.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 24' ' ' ILE . 62.2 t -79.63 167.78 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.602 -0.686 . . . . 0.0 109.671 177.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.48 ' N ' HG12 ' A' ' 23' ' ' VAL . 4.8 mp -137.23 137.66 46.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.459 -0.776 . . . . 0.0 109.938 178.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 HD21 ' CZ ' ' A' ' 58' ' ' PHE . 1.7 mm? -90.45 -60.56 1.89 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.601 -0.687 . . . . 0.0 109.703 176.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -152.13 -45.94 0.11 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.657 -0.652 . . . . 0.0 109.506 176.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CD2' ' CD ' ' A' ' 84' ' ' ARG . 11.9 t-160 -129.65 -41.74 1.33 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.719 -0.613 . . . . 0.0 110.216 176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.9 mttt -71.53 137.87 48.43 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.53 -0.731 . . . . 0.0 110.561 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.8 t -93.7 132.58 37.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 121.73 -0.607 . . . . 0.0 109.506 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.572 ' HB3' HD11 ' A' ' 32' ' ' LEU . 19.4 m-85 -103.2 119.98 39.87 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.574 -0.704 . . . . 0.0 111.13 -178.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.485 ' HB2' HD13 ' A' ' 76' ' ' ILE . 27.7 t0 -101.16 74.64 1.59 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -82.5 57.59 3.77 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.597 -0.689 . . . . 0.0 110.181 -175.255 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -68.31 -25.51 65.16 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.539 -0.726 . . . . 0.0 110.436 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -79.95 -28.16 39.7 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 110.314 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 70' ' ' LEU . 88.0 t80 -79.94 -34.06 39.14 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.562 -0.711 . . . . 0.0 109.959 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.6 tt -58.73 -32.55 69.31 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.548 -0.72 . . . . 0.0 110.245 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -96.04 25.08 5.03 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.6 -0.687 . . . . 0.0 110.359 177.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -118.18 -51.27 2.44 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.493 -0.754 . . . . 0.0 109.973 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -119.01 150.17 48.22 Favored Pre-proline 0 N--CA 1.493 1.678 0 O-C-N 121.596 -0.69 . . . . 0.0 109.83 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.42 102.53 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.315 1.166 . . . . 0.0 110.714 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.786 ' HA3' HG11 ' A' ' 45' ' ' VAL . . . -158.02 109.74 0.41 Allowed Glycine 0 N--CA 1.489 2.233 0 N-CA-C 109.509 -1.436 . . . . 0.0 109.509 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -57.15 -49.13 74.52 Favored Glycine 0 N--CA 1.496 2.636 0 N-CA-C 110.001 -1.239 . . . . 0.0 110.001 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -171.03 -38.36 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.435 -1.038 . . . . 0.0 110.789 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.06 72.15 1.66 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.35 -0.844 . . . . 0.0 111.065 -179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.786 HG11 ' HA3' ' A' ' 41' ' ' GLY . 26.9 m -114.37 -26.77 2.84 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 121.38 -0.825 . . . . 0.0 110.638 175.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.732 HD13 HD13 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -72.45 65.53 0.65 Allowed 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.393 -0.817 . . . . 0.0 110.028 177.359 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' CD2' ' A' ' 58' ' ' PHE . 2.3 mmp_? 52.92 33.57 14.83 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.465 -0.772 . . . . 0.0 110.814 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 mp0 52.77 -174.05 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.418 -0.802 . . . . 0.0 110.805 177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -146.52 28.29 1.08 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.619 -0.676 . . . . 0.0 110.303 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -167.84 -50.51 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.556 -0.715 . . . . 0.0 110.235 178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -68.22 -30.76 73.82 Favored Glycine 0 N--CA 1.493 2.458 0 N-CA-C 109.485 -1.446 . . . . 0.0 109.485 178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.15 126.79 36.97 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -86.59 -29.11 22.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.658 -0.907 . . . . 0.0 110.271 178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -143.41 178.76 7.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.57 -0.706 . . . . 0.0 110.222 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 58' ' ' PHE . 8.7 m -86.29 -29.91 22.7 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.599 -0.688 . . . . 0.0 110.182 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 56.46 -85.97 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.705 -0.622 . . . . 0.0 110.832 178.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -120.82 -51.0 2.15 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.014 -1.054 . . . . 0.0 110.24 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.615 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 16.3 t80 52.85 96.02 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.437 -0.789 . . . . 0.0 110.782 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -167.82 -179.84 4.42 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.561 -0.712 . . . . 0.0 110.198 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -108.17 -164.64 0.97 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.57 -0.706 . . . . 0.0 110.241 178.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 61' ' ' VAL . 11.0 p -97.26 28.26 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.543 -0.723 . . . . 0.0 110.196 178.112 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 140.07 0.05 OUTLIER Glycine 0 N--CA 1.494 2.525 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -162.3 30.08 0.11 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.564 -0.962 . . . . 0.0 110.338 178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.2 t -165.59 164.84 19.18 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.516 -0.74 . . . . 0.0 110.22 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.1 p -101.78 29.39 4.98 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.238 178.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -159.33 -43.29 0.05 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.593 -0.692 . . . . 0.0 110.202 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.58 124.57 30.26 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.562 -0.711 . . . . 0.0 110.12 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.92 -29.04 8.81 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.581 -0.7 . . . . 0.0 110.183 178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -121.6 114.12 20.74 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.551 -0.718 . . . . 0.0 110.224 178.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.618 HD11 ' CD1' ' A' ' 35' ' ' PHE . 1.4 pt? -90.23 16.58 8.33 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 111.01 178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 p -85.76 55.54 3.57 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.281 -0.887 . . . . 0.0 110.154 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt -143.64 -44.81 0.28 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.535 -0.728 . . . . 0.0 110.216 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.8 p -96.37 26.49 4.31 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.565 -0.71 . . . . 0.0 110.318 177.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -128.4 28.37 5.46 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.442 -0.786 . . . . 0.0 110.132 177.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.438 HG12 ' CE2' ' A' ' 30' ' ' TYR . 66.1 mt -114.8 161.01 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 O-C-N 121.464 -0.773 . . . . 0.0 110.235 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.485 HD13 ' HB2' ' A' ' 31' ' ' ASP . 35.8 pt -124.17 -33.66 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.584 -0.697 . . . . 0.0 111.094 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 178.47 -157.99 22.22 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.516 ' HG3' HG13 ' A' ' 4' ' ' VAL . 14.6 mt-10 -115.78 177.99 4.47 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.514 -0.992 . . . . 0.0 110.207 177.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.885 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -93.33 170.32 9.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.525 -0.734 . . . . 0.0 110.113 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD23 ' A' ' 79' ' ' LEU . 9.9 t-80 -79.4 127.8 77.43 Favored Pre-proline 0 N--CA 1.495 1.78 0 O-C-N 121.581 -0.699 . . . . 0.0 110.181 178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.437 ' HD3' ' CE1' ' A' ' 6' ' ' TYR . 50.6 Cg_exo -53.48 -23.51 25.02 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.109 1.057 . . . . 0.0 111.256 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.12 -60.04 4.19 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.414 -0.804 . . . . 0.0 110.76 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.614 ' HB3' HD22 ' A' ' 9' ' ' LEU . 3.9 m-20 -79.89 -35.95 37.26 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.544 -0.722 . . . . 0.0 110.437 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' HB2' HD22 ' A' ' 79' ' ' LEU . 7.5 ttt-85 -61.14 -41.78 97.35 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.644 -0.66 . . . . 0.0 110.212 178.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.638 ' HB2' HD12 ' A' ' 87' ' ' ILE . 4.4 m -89.97 -27.19 19.95 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.583 -0.698 . . . . 0.0 110.325 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 46.6 tttm 53.65 77.33 0.18 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.334 -0.854 . . . . 0.0 110.693 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.708 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -146.95 38.79 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.631 -0.668 . . . . 0.0 110.178 177.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.01 82.68 0.11 Allowed 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.638 -0.664 . . . . 0.0 110.186 177.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -166.98 62.95 0.69 Allowed Pre-proline 0 N--CA 1.495 1.79 0 O-C-N 121.573 -0.704 . . . . 0.0 110.215 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.89 172.03 0.2 Allowed 'Trans proline' 0 N--CA 1.491 1.345 0 O-C-N 123.342 1.18 . . . . 0.0 110.99 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.2 m -140.26 -159.55 0.97 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.549 -0.72 . . . . 0.0 110.204 177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -131.97 -170.98 2.51 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.504 -0.747 . . . . 0.0 110.158 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 43.5 m -82.2 -36.29 27.41 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.466 -0.771 . . . . 0.0 110.187 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 118.055 -0.974 . . . . 0.0 110.203 178.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.073 0.463 . . . . 0.0 110.237 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.05 140.87 57.75 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.621 -0.674 . . . . 0.0 110.313 178.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -166.33 142.94 4.96 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.668 -0.645 . . . . 0.0 110.194 178.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.3 t 53.66 102.87 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.075 0 O-C-N 121.457 -0.777 . . . . 0.0 110.682 178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' HE3' ' CE1' ' A' ' 7' ' ' TYR . 16.2 ttpp -83.44 149.86 26.4 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.591 -0.693 . . . . 0.0 109.676 174.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -79.89 87.75 5.32 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.497 -0.752 . . . . 0.0 110.327 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' CE1' ' HE3' ' A' ' 5' ' ' LYS . 31.3 m-85 -61.63 -168.32 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.681 -0.637 . . . . 0.0 110.014 177.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.8 p -118.8 155.9 30.36 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.525 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.986 HD12 HD11 ' A' ' 79' ' ' LEU . 7.1 tp -75.56 -25.33 57.01 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.713 -0.617 . . . . 0.0 110.596 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -79.27 -23.66 43.48 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.451 -0.781 . . . . 0.0 110.774 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -86.15 -26.89 24.93 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.427 -0.796 . . . . 0.0 110.609 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.803 HD13 HD12 ' A' ' 79' ' ' LEU . 46.6 mt -74.62 -54.69 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.453 -0.779 . . . . 0.0 110.226 179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -90.01 48.66 1.6 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.503 -0.748 . . . . 0.0 110.653 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -164.95 55.9 0.12 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.536 -0.728 . . . . 0.0 110.234 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -101.72 119.2 38.4 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.593 -0.692 . . . . 0.0 110.243 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -107.15 28.76 7.74 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.606 -0.684 . . . . 0.0 110.337 177.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -95.37 -27.23 15.54 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.59 -0.694 . . . . 0.0 110.351 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.9 t 53.37 27.31 6.16 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.343 -0.848 . . . . 0.0 110.709 178.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tptt -116.93 -37.37 3.61 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.531 -0.73 . . . . 0.0 110.189 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.3 p -111.16 -175.54 2.73 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.669 -0.644 . . . . 0.0 110.171 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -140.24 122.77 16.17 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.518 -0.739 . . . . 0.0 110.291 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.403 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.3 m95 -100.47 77.68 1.95 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.548 -0.72 . . . . 0.0 110.09 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 46' ' ' LEU . 57.7 t -85.0 151.4 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.571 -0.705 . . . . 0.0 110.014 178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 24' ' ' ILE . 5.3 mp -120.13 137.29 54.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 121.609 -0.682 . . . . 0.0 109.881 177.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.55 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm? -109.05 -74.06 0.67 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.509 -0.744 . . . . 0.0 110.034 178.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 13.2 p80 -122.38 82.88 2.03 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.589 -0.694 . . . . 0.0 109.792 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.3 t-80 55.07 22.42 4.48 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.33 -0.856 . . . . 0.0 110.549 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.0 tptt -122.4 134.18 54.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.474 -0.766 . . . . 0.0 109.793 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG12 HD11 ' A' ' 76' ' ' ILE . 46.8 t -90.46 128.85 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 O-C-N 121.594 -0.691 . . . . 0.0 109.768 178.513 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 32' ' ' LEU . 14.7 m-30 -107.2 137.1 45.89 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.518 -0.739 . . . . 0.0 110.673 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.626 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.6 t70 -105.25 77.85 1.34 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD11 ' CB ' ' A' ' 30' ' ' TYR . 1.1 mp -92.34 45.2 1.19 Allowed 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.642 -0.661 . . . . 0.0 110.147 -175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.0 t -67.84 -26.65 66.15 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.464 -0.773 . . . . 0.0 110.395 178.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 74' ' ' TYR . 11.8 tttt -80.13 -28.9 38.86 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.449 -0.782 . . . . 0.0 110.006 177.313 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.784 ' CD1' HD11 ' A' ' 70' ' ' LEU . 81.1 t80 -72.62 -29.62 63.64 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.649 -0.657 . . . . 0.0 109.977 176.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.649 HD11 ' HA ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -65.54 -29.27 69.88 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.586 -0.696 . . . . 0.0 110.081 177.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -90.42 -27.75 19.09 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.594 -0.691 . . . . 0.0 110.325 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.95 -31.13 39.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.509 -0.745 . . . . 0.0 110.147 178.174 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.2 m80 -112.36 94.74 28.17 Favored Pre-proline 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.139 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.95 91.36 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.385 0 O-C-N 123.428 1.225 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.541 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -123.29 -42.99 0.37 Allowed Glycine 0 N--CA 1.493 2.477 0 N-CA-C 109.464 -1.455 . . . . 0.0 109.464 177.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 133.96 -53.93 0.78 Allowed Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.649 ' HA ' HD11 ' A' ' 36' ' ' LEU . 3.7 mt-10 -164.01 -72.97 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.605 -0.938 . . . . 0.0 110.031 177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mp0 -84.13 92.81 8.0 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.601 -0.687 . . . . 0.0 110.16 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.541 HG12 ' HA3' ' A' ' 41' ' ' GLY . 34.7 m -104.69 -24.51 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.578 -0.701 . . . . 0.0 110.512 177.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.672 HD11 HD22 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -74.61 71.53 1.89 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.461 -0.774 . . . . 0.0 110.147 177.796 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 52.84 98.42 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.329 -0.857 . . . . 0.0 110.78 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.56 159.84 12.38 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 110.186 177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -139.91 126.97 20.95 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.552 -0.717 . . . . 0.0 110.251 178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -145.24 29.17 1.18 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.535 -0.728 . . . . 0.0 110.142 178.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 148.87 85.95 0.06 OUTLIER Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.495 -1.442 . . . . 0.0 109.495 178.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 153.44 156.6 7.68 Favored Glycine 0 N--CA 1.493 2.434 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -136.74 36.09 2.64 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.59 -0.947 . . . . 0.0 110.278 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.72 148.76 44.94 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.647 -0.658 . . . . 0.0 110.206 178.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.1 m -116.08 98.28 6.54 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.548 -0.72 . . . . 0.0 110.209 178.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.65 -46.39 13.31 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.595 -0.691 . . . . 0.0 110.201 178.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -108.1 123.49 48.78 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.646 -0.659 . . . . 0.0 110.244 178.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -84.07 -159.14 0.37 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.483 -0.76 . . . . 0.0 110.182 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -79.93 -28.93 39.66 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.524 -0.735 . . . . 0.0 110.215 178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -62.48 -29.1 70.29 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.59 -0.694 . . . . 0.0 110.118 178.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 9.2 p -119.95 144.86 27.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.608 -0.682 . . . . 0.0 110.128 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.87 -34.32 2.41 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -82.44 -28.84 31.06 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.633 -0.922 . . . . 0.0 110.182 178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t 52.94 46.49 26.66 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.399 -0.813 . . . . 0.0 110.794 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 66' ' ' ASP . 7.3 t -168.76 -39.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.571 -0.705 . . . . 0.0 110.414 177.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 65' ' ' THR . 0.7 OUTLIER -135.98 157.4 46.93 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.527 -0.733 . . . . 0.0 110.229 178.039 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.58 -61.06 1.99 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.578 -0.701 . . . . 0.0 110.204 178.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 56.32 -86.11 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.638 -0.664 . . . . 0.0 110.852 178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 52.86 50.41 18.09 Favored 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.949 -1.095 . . . . 0.0 110.752 178.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -90.11 54.26 2.74 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.52 -0.737 . . . . 0.0 110.327 177.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.9 p -99.33 -26.76 14.05 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.593 -0.692 . . . . 0.0 110.303 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.738 ' HA ' HD11 ' A' ' 75' ' ' ILE . 6.3 ptmt -81.83 -22.81 36.8 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.445 -0.784 . . . . 0.0 110.858 178.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.739 HG23 ' CD1' ' A' ' 74' ' ' TYR . 8.8 t -93.04 -23.05 18.79 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.394 -0.816 . . . . 0.0 110.935 179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.739 ' CD1' HG23 ' A' ' 73' ' ' THR . 3.1 m-85 -99.48 51.39 0.93 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.428 -0.795 . . . . 0.0 110.411 -178.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.738 HD11 ' HA ' ' A' ' 72' ' ' LYS . 49.9 mt -116.05 166.85 9.62 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.507 -0.745 . . . . 0.0 110.362 179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.626 HG21 ' HB2' ' A' ' 31' ' ' ASP . 28.8 pt -130.6 -36.96 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.622 -0.674 . . . . 0.0 110.919 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.16 -152.19 9.71 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 179.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' N ' HG13 ' A' ' 4' ' ' VAL . 26.7 mt-10 -125.23 -174.7 3.12 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.504 -0.998 . . . . 0.0 110.426 177.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.986 HD11 HD12 ' A' ' 9' ' ' LEU . 8.6 tt -103.5 158.14 16.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.633 -0.667 . . . . 0.0 110.123 176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.467 ' C ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -78.55 114.24 41.51 Favored Pre-proline 0 N--CA 1.495 1.793 0 O-C-N 121.598 -0.688 . . . . 0.0 110.162 177.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.81 -24.11 22.77 Favored 'Trans proline' 0 N--CA 1.492 1.425 0 O-C-N 123.171 1.09 . . . . 0.0 111.142 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -58.71 -25.57 63.02 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.548 -0.72 . . . . 0.0 110.638 178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 9' ' ' LEU . 72.4 m-20 -108.24 -28.51 9.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.505 -0.747 . . . . 0.0 110.266 178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -65.52 0.68 Allowed 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.49 -0.756 . . . . 0.0 109.857 176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 32.2 t -71.26 -150.11 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.6 -0.687 . . . . 0.0 109.324 174.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.888 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -97.48 -79.59 0.46 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.221 -0.925 . . . . 0.0 109.529 176.142 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 86' ' ' LYS . 21.7 mm -133.49 70.64 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.475 -0.766 . . . . 0.0 109.86 177.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.23 63.1 1.31 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.511 -0.743 . . . . 0.0 110.128 178.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -147.6 84.99 6.84 Favored Pre-proline 0 N--CA 1.494 1.727 0 O-C-N 121.559 -0.713 . . . . 0.0 110.152 177.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.9 -63.23 0.26 Allowed 'Trans proline' 0 N--CA 1.492 1.423 0 O-C-N 123.482 1.254 . . . . 0.0 110.938 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 20.3 t 52.6 80.85 0.09 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.395 -0.815 . . . . 0.0 110.821 178.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.73 -62.52 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.534 -0.729 . . . . 0.0 110.242 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.0 p -99.06 -170.1 1.87 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.569 -0.707 . . . . 0.0 110.259 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.014 -0.993 . . . . 0.0 110.28 177.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.115 0.483 . . . . 0.0 110.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.2 ttmt -160.77 139.46 10.15 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.527 -0.733 . . . . 0.0 110.198 178.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 52.86 -159.57 0.13 Allowed 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.373 -0.829 . . . . 0.0 110.721 178.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.52 HG11 ' OE1' ' A' ' 78' ' ' GLU . 70.9 t -83.89 139.89 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.498 -0.751 . . . . 0.0 110.079 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 7' ' ' TYR . 14.9 ptmt -116.53 -161.92 0.82 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.695 -0.628 . . . . 0.0 109.735 176.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.441 ' CD1' ' HD3' ' A' ' 81' ' ' PRO . 21.9 m-85 -122.34 86.91 2.66 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.509 -0.745 . . . . 0.0 110.337 177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 5' ' ' LYS . 33.8 m-85 -61.63 -169.47 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.612 -0.68 . . . . 0.0 110.128 177.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.4 ' O ' HD12 ' A' ' 12' ' ' ILE . 73.0 p -119.16 159.68 23.55 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.568 -0.707 . . . . 0.0 110.27 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.944 HD12 HD11 ' A' ' 79' ' ' LEU . 11.8 tp -80.76 -27.12 36.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.528 -0.732 . . . . 0.0 110.424 178.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.79 -27.99 61.42 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.505 -0.747 . . . . 0.0 110.292 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -81.57 -41.48 21.52 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.564 -0.71 . . . . 0.0 110.397 178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 79' ' ' LEU . 59.9 mt -64.96 -26.27 39.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.942 0 O-C-N 121.559 -0.713 . . . . 0.0 110.132 178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.07 23.44 3.24 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.461 -0.774 . . . . 0.0 111.011 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -166.81 73.59 0.14 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.302 -0.874 . . . . 0.0 110.264 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.499 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 28.1 m-70 -110.94 140.28 45.57 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.516 -0.74 . . . . 0.0 110.256 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmmt -148.38 75.55 1.33 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.556 -0.715 . . . . 0.0 110.092 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.2 p-10 -117.43 -144.07 0.38 Allowed 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.479 -0.763 . . . . 0.0 110.147 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p -71.34 63.54 0.37 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.296 -0.878 . . . . 0.0 110.701 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm 52.41 22.83 2.22 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 121.244 -0.91 . . . . 0.0 111.484 175.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.7 t -63.93 178.58 0.62 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.437 -0.789 . . . . 0.0 110.116 177.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.595 ' HB ' HD12 ' A' ' 36' ' ' LEU . 8.5 t -140.82 119.75 12.68 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.519 -0.738 . . . . 0.0 110.299 177.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.499 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 5.5 m95 -93.65 84.59 4.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.499 -0.75 . . . . 0.0 110.078 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 24' ' ' ILE . 60.9 t -79.52 167.6 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.579 -0.701 . . . . 0.0 109.416 177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.47 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.9 mp -132.7 137.25 54.46 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.519 -0.738 . . . . 0.0 110.377 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HB2' ' CE1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -101.01 -152.75 0.44 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.698 -0.626 . . . . 0.0 109.358 176.423 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 30.4 p80 -53.21 -23.47 8.67 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.321 -0.862 . . . . 0.0 110.897 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 22.2 t-160 -168.21 -38.87 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.414 -0.803 . . . . 0.0 110.796 177.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mttm -66.14 144.16 56.84 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.72 . . . . 0.0 110.726 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 75' ' ' ILE . 83.4 t -95.02 140.06 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.504 -0.747 . . . . 0.0 109.529 175.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.566 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -112.42 124.63 52.92 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.63 -0.669 . . . . 0.0 111.193 -176.529 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.5 t70 -104.05 78.89 1.56 Allowed 'General case' 0 N--CA 1.494 1.735 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 171.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.636 HD22 HD11 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -85.09 53.55 2.78 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.687 -0.633 . . . . 0.0 110.493 -175.52 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.9 t -69.79 -24.88 63.56 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.378 -0.826 . . . . 0.0 110.435 177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmtt -81.16 -25.87 36.49 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.422 -0.798 . . . . 0.0 110.468 178.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.498 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 35.6 t80 -88.73 -32.21 18.05 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.44 -0.788 . . . . 0.0 110.269 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.641 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.6 tt -60.61 -26.22 66.84 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.6 -0.688 . . . . 0.0 110.406 178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -100.34 -22.99 14.89 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.449 -0.782 . . . . 0.0 110.701 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -79.71 -28.02 40.62 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.355 -0.84 . . . . 0.0 110.291 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CE1' ' A' ' 35' ' ' PHE . 51.1 m80 -127.31 82.28 68.49 Favored Pre-proline 0 N--CA 1.493 1.719 0 O-C-N 121.523 -0.736 . . . . 0.0 110.232 177.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.03 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.36 0 O-C-N 123.369 1.194 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.5 -34.32 2.11 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.48 -1.448 . . . . 0.0 109.48 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 127.84 78.69 0.25 Allowed Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 55.81 -86.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.699 -0.883 . . . . 0.0 110.903 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.3 73.42 0.33 Allowed 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.132 -0.98 . . . . 0.0 110.315 178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 HD12 ' A' ' 46' ' ' LEU . 35.1 m -75.43 -20.47 16.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 O-C-N 121.54 -0.725 . . . . 0.0 110.84 178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD12 HG23 ' A' ' 45' ' ' VAL . 1.5 mp -95.74 36.0 1.32 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.344 -0.848 . . . . 0.0 110.404 178.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.3 mtt-85 51.93 52.82 13.69 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.353 -0.842 . . . . 0.0 110.882 177.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 53.11 -156.81 0.17 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.411 -0.805 . . . . 0.0 110.707 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -143.14 171.48 14.02 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.513 -0.742 . . . . 0.0 110.304 177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.51 -179.3 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.398 -0.814 . . . . 0.0 110.752 178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.99 -162.91 30.69 Favored Glycine 0 N--CA 1.494 2.508 0 N-CA-C 109.479 -1.448 . . . . 0.0 109.479 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 63.41 -166.14 26.38 Favored Glycine 0 N--CA 1.493 2.444 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -136.18 134.09 37.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.572 -0.958 . . . . 0.0 110.163 178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.78 -175.83 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.48 -0.762 . . . . 0.0 110.833 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -143.92 53.6 1.3 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.547 -0.721 . . . . 0.0 110.298 177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -109.62 150.78 27.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.542 -0.724 . . . . 0.0 110.244 178.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.537 HD21 HG23 ' A' ' 61' ' ' VAL . 0.1 OUTLIER 52.89 58.06 5.72 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.439 -0.788 . . . . 0.0 110.716 178.065 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -123.31 -165.39 1.32 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.467 -0.771 . . . . 0.0 110.256 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 56.6 -85.95 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.575 -0.703 . . . . 0.0 110.783 178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -110.82 137.37 48.55 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.125 -0.984 . . . . 0.0 110.204 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 10.1 p -157.83 28.28 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.631 -0.668 . . . . 0.0 110.115 178.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 57.77 0.09 OUTLIER Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 177.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.68 ' O ' HG22 ' A' ' 65' ' ' THR . 3.7 t-80 -127.23 30.37 5.41 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.572 -0.958 . . . . 0.0 110.239 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.7 m 52.78 27.68 5.6 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.426 -0.796 . . . . 0.0 110.785 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.68 HG22 ' O ' ' A' ' 63' ' ' HIS . 7.8 t -168.07 175.59 6.56 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.605 -0.684 . . . . 0.0 110.27 178.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -167.37 47.97 0.06 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.63 -0.669 . . . . 0.0 110.222 178.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -87.5 125.16 34.15 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.612 -0.68 . . . . 0.0 110.232 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 52.8 -168.07 0.05 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.368 -0.832 . . . . 0.0 110.801 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -135.12 157.42 46.98 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.564 -0.71 . . . . 0.0 110.203 178.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.448 ' CD2' ' CD1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -83.78 -25.61 30.31 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.549 -0.719 . . . . 0.0 110.388 177.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -71.62 66.25 0.51 Allowed 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.507 -0.746 . . . . 0.0 110.182 178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -159.61 -49.3 0.05 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.442 -0.786 . . . . 0.0 110.204 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.5 p -96.68 26.31 4.58 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.52 -0.737 . . . . 0.0 110.379 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -133.36 33.62 3.56 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.417 -0.802 . . . . 0.0 110.02 178.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 54.2 mt -112.46 158.92 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.862 0 O-C-N 121.575 -0.703 . . . . 0.0 109.949 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.5 HG21 ' HB2' ' A' ' 31' ' ' ASP . 38.7 pt -120.48 -32.52 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.912 0 O-C-N 121.547 -0.72 . . . . 0.0 110.9 179.191 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.83 -152.3 11.66 Favored Glycine 0 N--CA 1.493 2.497 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.52 ' OE1' HG11 ' A' ' 4' ' ' VAL . 3.2 mt-10 -124.22 178.88 5.12 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.512 -0.993 . . . . 0.0 110.047 177.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.944 HD11 HD12 ' A' ' 9' ' ' LEU . 6.9 tt -98.54 152.03 20.0 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.569 -0.707 . . . . 0.0 110.126 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' O ' HD23 ' A' ' 79' ' ' LEU . 17.3 t-80 -60.21 124.06 75.91 Favored Pre-proline 0 N--CA 1.498 1.936 0 O-C-N 121.668 -0.645 . . . . 0.0 110.317 179.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 6' ' ' TYR . 50.0 Cg_exo -53.16 -23.73 23.62 Favored 'Trans proline' 0 N--CA 1.492 1.434 0 O-C-N 123.04 1.021 . . . . 0.0 111.137 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -58.31 -39.62 79.85 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.441 -0.787 . . . . 0.0 110.482 178.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.487 ' O ' HD11 ' A' ' 87' ' ' ILE . 3.6 m-20 -95.33 -25.98 16.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.552 -0.718 . . . . 0.0 110.338 177.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.685 ' HB2' HD22 ' A' ' 79' ' ' LEU . 5.8 tpm_? -86.82 -67.06 0.84 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.493 -0.754 . . . . 0.0 110.266 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.0 t -90.17 -169.68 2.51 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.527 -0.733 . . . . 0.0 110.448 179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 37.19 52.37 1.15 Allowed 'General case' 0 N--CA 1.51 2.566 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 178.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.487 HD11 ' O ' ' A' ' 83' ' ' ASP . 50.1 mm -79.69 -29.14 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 109.972 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.82 159.9 18.23 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.649 -0.657 . . . . 0.0 110.132 177.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.11 87.76 55.53 Favored Pre-proline 0 N--CA 1.492 1.65 0 O-C-N 121.518 -0.739 . . . . 0.0 110.281 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.17 -175.72 0.02 OUTLIER 'Trans proline' 0 N--CA 1.493 1.463 0 O-C-N 123.509 1.268 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 79.4 p -83.43 -160.13 0.4 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.607 -0.683 . . . . 0.0 110.181 178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' C ' HG23 ' A' ' 93' ' ' THR . 10.3 tt0 -97.04 -62.36 1.27 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.564 -0.71 . . . . 0.0 110.159 178.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.464 HG23 ' C ' ' A' ' 92' ' ' GLU . 36.4 p -151.77 -71.81 0.16 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 110.264 178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.0 tp . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.024 -0.988 . . . . 0.0 110.239 178.014 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 N--CA 1.491 1.611 0 CA-C-O 121.114 0.483 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -87.28 174.86 8.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.514 -0.741 . . . . 0.0 110.217 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -95.18 158.23 15.55 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.58 -0.7 . . . . 0.0 110.176 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.854 HG11 ' CD ' ' A' ' 78' ' ' GLU . 89.7 t -82.27 144.81 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.554 -0.716 . . . . 0.0 110.126 178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -114.24 145.59 41.52 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.686 -0.634 . . . . 0.0 109.656 175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -79.84 85.78 5.45 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.497 -0.752 . . . . 0.0 110.211 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.47 ' HD2' HG21 ' A' ' 29' ' ' VAL . 29.6 m-85 -61.92 -164.06 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.623 -0.673 . . . . 0.0 110.044 177.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 72.9 p -135.42 -177.03 4.48 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.491 -0.755 . . . . 0.0 110.339 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.701 HD13 ' HB3' ' A' ' 83' ' ' ASP . 2.3 mp -84.94 -49.14 8.6 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.621 -0.674 . . . . 0.0 110.282 178.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -26.96 66.54 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.627 -0.67 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -77.83 -43.79 29.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.513 -0.742 . . . . 0.0 110.407 178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.796 HG21 HD11 ' A' ' 24' ' ' ILE . 79.4 mt -79.25 -23.05 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.542 -0.724 . . . . 0.0 110.413 178.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -90.53 19.6 5.19 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.345 -0.847 . . . . 0.0 111.015 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -122.94 28.42 7.23 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.304 -0.873 . . . . 0.0 110.158 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -110.64 97.79 7.13 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.558 -0.714 . . . . 0.0 110.175 177.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -74.23 -29.33 61.66 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.556 -0.715 . . . . 0.0 110.143 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -167.85 -64.35 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.64 -0.662 . . . . 0.0 110.179 177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.4 p 49.97 26.46 2.03 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.521 -0.737 . . . . 0.0 111.118 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 66.41 -67.1 0.16 Allowed 'General case' 0 N--CA 1.505 2.306 0 O-C-N 121.54 -0.725 . . . . 0.0 110.711 178.026 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.0 p -60.54 -171.57 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.371 -0.83 . . . . 0.0 110.328 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.504 HG23 ' O ' ' A' ' 21' ' ' THR . 7.9 t -144.95 124.29 13.03 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.64 -0.663 . . . . 0.0 110.379 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -98.86 75.91 2.12 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.545 -0.722 . . . . 0.0 110.225 177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 59.1 t -81.57 133.35 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.852 0 O-C-N 121.471 -0.768 . . . . 0.0 109.943 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.796 HD11 HG21 ' A' ' 12' ' ' ILE . 7.7 mt -104.41 137.9 31.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.532 -0.73 . . . . 0.0 109.837 177.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.785 HD23 ' CE1' ' A' ' 30' ' ' TYR . 4.4 mm? -91.15 -77.37 0.42 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.624 -0.673 . . . . 0.0 109.894 177.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -128.84 -41.46 1.47 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.47 -0.768 . . . . 0.0 110.1 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 23.4 t-160 -150.22 22.17 0.85 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.481 -0.762 . . . . 0.0 110.258 176.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.2 mptt -126.37 144.21 50.9 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.403 -0.811 . . . . 0.0 110.304 178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG21 ' HD2' ' A' ' 7' ' ' TYR . 49.7 t -100.36 119.59 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.61 -0.681 . . . . 0.0 109.644 177.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.785 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -100.51 130.39 46.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.515 -0.741 . . . . 0.0 110.982 -178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.488 ' HB2' HG21 ' A' ' 76' ' ' ILE . 25.5 t70 -102.82 78.98 1.73 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 170.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.954 HD22 HD12 ' A' ' 46' ' ' LEU . 1.2 mp -90.58 46.08 1.31 Allowed 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.642 -0.662 . . . . 0.0 110.488 -174.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -69.16 -24.54 64.09 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.486 -0.759 . . . . 0.0 110.406 177.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.0 tttm -81.92 -27.86 33.13 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.482 -0.761 . . . . 0.0 110.124 177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.472 ' CD1' HD11 ' A' ' 46' ' ' LEU . 26.8 t80 -76.38 -29.78 57.29 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.49 -0.756 . . . . 0.0 109.887 177.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.782 HD21 ' HG2' ' A' ' 43' ' ' GLU . 2.9 tt -61.26 -30.74 70.65 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.594 -0.691 . . . . 0.0 110.168 178.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -111.6 25.29 11.81 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.564 -0.71 . . . . 0.0 110.613 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -104.29 -40.96 5.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.539 -0.726 . . . . 0.0 110.11 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -120.67 81.82 33.25 Favored Pre-proline 0 N--CA 1.494 1.729 0 O-C-N 121.572 -0.705 . . . . 0.0 110.169 177.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -52.74 92.13 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.376 1.198 . . . . 0.0 110.957 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 175.14 40.91 0.05 OUTLIER Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 136.01 125.86 2.52 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.427 -1.469 . . . . 0.0 109.427 178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.782 ' HG2' HD21 ' A' ' 36' ' ' LEU . 6.1 mt-10 -95.03 -29.09 14.79 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.517 -0.99 . . . . 0.0 110.275 178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.0 pm0 -100.2 54.08 0.9 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.58 -0.7 . . . . 0.0 110.323 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.0 m -117.62 24.59 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.506 177.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.954 HD12 HD22 ' A' ' 32' ' ' LEU . 3.9 mm? -86.05 -29.36 23.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.439 -0.788 . . . . 0.0 109.883 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.552 HH11 HD13 ' A' ' 25' ' ' LEU . 23.1 ttt85 -152.68 -64.54 0.16 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.542 -0.724 . . . . 0.0 110.211 177.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -168.11 169.51 11.03 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.514 -0.741 . . . . 0.0 110.232 178.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -163.23 52.99 0.17 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 110.224 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -166.79 -64.6 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.509 -0.744 . . . . 0.0 110.193 177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.33 138.39 4.97 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.49 -1.444 . . . . 0.0 109.49 178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 135.43 155.98 7.48 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -168.27 -164.71 0.55 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.609 -0.936 . . . . 0.0 110.238 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 53.01 58.33 5.43 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.426 -0.796 . . . . 0.0 110.793 178.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.1 p 44.32 95.3 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.337 0 O-C-N 121.788 -0.57 . . . . 0.0 111.76 178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -131.93 -57.12 0.98 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.517 -0.739 . . . . 0.0 110.199 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -108.76 -27.92 9.5 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.529 -0.732 . . . . 0.0 110.313 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 1.1 t80 53.16 -177.68 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.37 -0.831 . . . . 0.0 110.674 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -60.03 -164.25 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.433 -0.792 . . . . 0.0 110.357 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 20.3 t0 50.25 85.62 0.03 OUTLIER 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.461 -0.775 . . . . 0.0 110.861 177.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.6 p -138.41 138.13 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.63 -0.669 . . . . 0.0 110.213 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 -46.52 2.12 Favored Glycine 0 N--CA 1.492 2.37 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -113.53 148.51 35.93 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.583 -0.951 . . . . 0.0 110.254 177.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.6 44.14 0.93 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.627 -0.671 . . . . 0.0 110.215 178.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.5 m -81.23 -29.68 34.41 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.494 -0.754 . . . . 0.0 110.168 178.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -128.16 122.57 32.24 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.585 -0.697 . . . . 0.0 110.214 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -81.8 81.35 7.85 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.586 -0.697 . . . . 0.0 110.145 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -153.39 131.46 11.83 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.546 -0.721 . . . . 0.0 110.187 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -100.4 123.52 44.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.521 -0.737 . . . . 0.0 110.241 177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD21 ' HD2' ' A' ' 35' ' ' PHE . 0.3 OUTLIER -91.14 49.55 1.64 Allowed 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.481 176.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.71 ' O ' HD11 ' A' ' 75' ' ' ILE . 5.2 p -96.42 27.74 3.64 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.515 -0.741 . . . . 0.0 110.264 177.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 20.2 mmtm -120.77 -42.86 2.5 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 110.077 177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 71.0 p -97.41 28.03 3.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.509 -0.745 . . . . 0.0 110.204 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -137.22 28.4 2.81 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.564 -0.71 . . . . 0.0 110.099 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.71 HD11 ' O ' ' A' ' 71' ' ' SER . 76.1 mt -116.65 158.58 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.49 -0.756 . . . . 0.0 110.408 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.488 HG21 ' HB2' ' A' ' 31' ' ' ASP . 4.0 pt -117.14 -24.83 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.681 -0.637 . . . . 0.0 110.829 179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.641 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.0 -152.73 12.53 Favored Glycine 0 N--CA 1.493 2.442 0 N-CA-C 109.306 -1.517 . . . . 0.0 109.306 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.854 ' CD ' HG11 ' A' ' 4' ' ' VAL . 17.5 mt-10 -133.19 -171.01 2.58 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.556 -0.967 . . . . 0.0 110.206 177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.669 HD11 HD12 ' A' ' 9' ' ' LEU . 63.8 tp -106.55 159.11 16.42 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.574 -0.703 . . . . 0.0 110.038 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -76.44 119.25 76.52 Favored Pre-proline 0 N--CA 1.494 1.774 0 O-C-N 121.537 -0.727 . . . . 0.0 110.032 177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.418 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.97 -23.76 22.45 Favored 'Trans proline' 0 N--CA 1.493 1.477 0 O-C-N 123.076 1.04 . . . . 0.0 111.184 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HA ' HD13 ' A' ' 87' ' ' ILE . 2.5 t70 -57.71 -53.35 59.19 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.396 -0.815 . . . . 0.0 110.653 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.701 ' HB3' HD13 ' A' ' 9' ' ' LEU . 48.0 m-20 -80.64 -39.27 27.67 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.565 -0.71 . . . . 0.0 110.291 178.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD23 ' A' ' 79' ' ' LEU . 5.1 ttt-85 -61.37 -44.61 96.87 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.589 -0.694 . . . . 0.0 110.248 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -89.43 -156.35 0.4 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.537 -0.727 . . . . 0.0 110.221 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.94 76.58 1.5 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.557 -0.714 . . . . 0.0 110.104 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.569 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.5 mp -90.11 50.18 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.802 0 O-C-N 121.576 -0.703 . . . . 0.0 109.934 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.27 56.76 3.9 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.551 -0.718 . . . . 0.0 110.088 178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -139.47 174.39 4.15 Favored Pre-proline 0 N--CA 1.492 1.67 0 O-C-N 121.435 -0.791 . . . . 0.0 110.151 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -52.58 -33.04 56.58 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 O-C-N 123.408 1.215 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 m 52.78 51.68 15.49 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.341 -0.85 . . . . 0.0 110.741 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.14 177.17 4.84 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.55 -0.719 . . . . 0.0 110.28 177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 t -79.96 -23.53 41.59 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.569 -0.707 . . . . 0.0 110.585 178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.184 178.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.102 0.477 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -167.42 -164.29 0.58 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.565 -0.71 . . . . 0.0 110.26 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.475 ' C ' HG23 ' A' ' 4' ' ' VAL . 0.8 OUTLIER -93.28 45.35 1.17 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.625 -0.672 . . . . 0.0 110.242 178.12 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.542 HG13 ' HG3' ' A' ' 78' ' ' GLU . 79.6 t -150.03 123.6 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.611 -0.681 . . . . 0.0 110.023 178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.5 tttm -116.3 155.02 29.15 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.616 -0.678 . . . . 0.0 109.845 176.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -83.96 93.26 8.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.526 -0.734 . . . . 0.0 110.433 178.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.767 ' CE2' HD12 ' A' ' 76' ' ' ILE . 10.4 m-85 -69.96 -168.9 0.23 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.701 -0.624 . . . . 0.0 109.906 177.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.692 ' O ' HD12 ' A' ' 12' ' ' ILE . 77.7 p -126.23 154.1 43.8 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.552 -0.718 . . . . 0.0 110.347 177.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.016 HD12 HD11 ' A' ' 79' ' ' LEU . 3.2 tp -67.53 -27.32 66.87 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.669 -0.644 . . . . 0.0 110.33 178.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -73.71 -26.8 60.88 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.516 -0.74 . . . . 0.0 110.567 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -81.78 -27.63 33.65 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.484 -0.76 . . . . 0.0 110.477 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.951 HD13 HD12 ' A' ' 79' ' ' LEU . 7.8 mt -88.47 -25.61 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.598 -0.688 . . . . 0.0 110.342 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -90.29 48.32 1.54 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.487 -0.758 . . . . 0.0 110.301 178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 pttt -169.42 52.34 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.51 -0.743 . . . . 0.0 110.31 177.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 31.7 m-70 -122.43 102.44 8.1 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.616 -0.678 . . . . 0.0 110.281 178.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -168.85 53.73 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.504 -0.747 . . . . 0.0 110.19 177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -136.56 -44.3 0.6 Allowed 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.555 -0.715 . . . . 0.0 110.321 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -96.94 30.85 2.55 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.591 -0.693 . . . . 0.0 110.342 178.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt 54.08 22.2 3.37 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 121.412 -0.805 . . . . 0.0 111.113 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.0 p -89.57 170.4 10.52 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.442 -0.787 . . . . 0.0 110.104 177.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -144.28 117.96 9.23 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.539 -0.725 . . . . 0.0 110.408 178.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.488 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 4.7 m0 -92.03 81.4 5.1 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.564 -0.71 . . . . 0.0 110.103 177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.474 HG12 ' N ' ' A' ' 24' ' ' ILE . 91.6 t -79.7 168.65 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.75 0 O-C-N 121.567 -0.708 . . . . 0.0 109.454 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.572 ' C ' HD22 ' A' ' 25' ' ' LEU . 4.8 mp -136.8 136.22 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.392 -0.817 . . . . 0.0 110.562 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 HD22 ' C ' ' A' ' 24' ' ' ILE . 4.6 mm? -110.43 77.56 1.06 Allowed 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' CD2' ' N ' ' A' ' 26' ' ' HIS . 14.5 m-70 55.84 99.94 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.529 -0.732 . . . . 0.0 110.098 -177.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 t-160 67.88 -62.59 0.34 Allowed 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.659 -0.65 . . . . 0.0 110.938 179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' O ' HG23 ' A' ' 24' ' ' ILE . 27.3 mttp -57.14 136.86 56.41 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.326 -0.859 . . . . 0.0 110.888 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.683 ' O ' HG23 ' A' ' 75' ' ' ILE . 64.9 t -105.81 148.34 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.486 -0.759 . . . . 0.0 109.832 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.443 ' CE1' ' HB2' ' A' ' 25' ' ' LEU . 11.4 m-85 -120.75 136.79 54.78 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.639 -0.663 . . . . 0.0 111.448 -176.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 27.0 t70 -106.33 91.01 3.53 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 168.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.919 HD22 HD13 ' A' ' 46' ' ' LEU . 7.9 mt -87.04 14.13 8.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.604 -0.685 . . . . 0.0 111.472 -173.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.406 HG22 ' OD2' ' A' ' 31' ' ' ASP . 7.4 t -60.72 -27.16 67.7 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.169 -0.957 . . . . 0.0 109.988 175.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' CD ' ' CD2' ' A' ' 74' ' ' TYR . 14.0 ptpt -84.17 -23.98 30.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.542 -0.724 . . . . 0.0 110.138 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.51 ' HE1' HG21 ' A' ' 45' ' ' VAL . 22.4 t80 -81.76 -33.49 30.92 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.396 -0.815 . . . . 0.0 109.902 175.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 mt -58.57 -27.36 64.52 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.625 -0.672 . . . . 0.0 110.326 178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -95.26 -19.96 19.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.585 -0.697 . . . . 0.0 110.665 177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -79.73 -48.5 13.53 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.381 -0.824 . . . . 0.0 110.339 178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 35' ' ' PHE . 29.1 m80 -115.61 84.75 12.8 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.537 -0.727 . . . . 0.0 110.197 178.14 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.12 91.84 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.383 0 O-C-N 123.392 1.207 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.56 -64.61 0.35 Allowed Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.88 32.5 84.09 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -164.27 -74.06 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.607 -0.937 . . . . 0.0 110.343 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -100.11 88.33 3.7 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.59 -0.694 . . . . 0.0 110.519 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.645 HG22 HD12 ' A' ' 46' ' ' LEU . 9.7 p -167.82 132.44 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.555 -0.715 . . . . 0.0 110.05 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.919 HD13 HD22 ' A' ' 32' ' ' LEU . 7.6 mt 45.67 -162.83 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.592 -0.692 . . . . 0.0 111.504 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HB3' HG13 ' A' ' 23' ' ' VAL . 6.6 tpt180 -80.79 58.75 3.43 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 110.284 178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.81 172.94 12.3 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.411 -0.806 . . . . 0.0 110.118 177.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -81.94 107.19 14.46 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.568 -0.708 . . . . 0.0 110.212 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -161.98 -166.78 1.5 Allowed 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.533 -0.729 . . . . 0.0 110.141 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.65 168.78 50.02 Favored Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.62 169.72 46.18 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -161.62 79.12 0.56 Allowed 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.639 -0.918 . . . . 0.0 110.21 178.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -165.38 32.19 0.06 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.528 -0.732 . . . . 0.0 110.178 178.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 82.7 p 45.28 -91.19 0.02 OUTLIER 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.954 -0.467 . . . . 0.0 111.759 178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 55.36 175.39 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.129 0 O-C-N 120.964 -1.085 . . . . 0.0 110.636 178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.21 96.21 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.358 -0.839 . . . . 0.0 110.887 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -104.59 -71.21 0.75 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.58 -0.7 . . . . 0.0 110.314 178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -107.31 -22.05 12.73 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.652 -0.655 . . . . 0.0 110.73 178.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -56.8 -27.8 60.43 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.247 -0.908 . . . . 0.0 110.511 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 61' ' ' VAL . 8.6 p -65.06 121.63 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 121.588 -0.695 . . . . 0.0 110.035 177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 123.77 169.05 13.1 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -79.86 -163.71 0.57 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.555 -0.968 . . . . 0.0 110.389 178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.5 t 53.28 -159.53 0.14 Allowed 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.423 -0.798 . . . . 0.0 110.771 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 75.6 p -123.56 -165.0 1.28 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.586 -0.696 . . . . 0.0 110.274 178.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -118.5 141.99 48.03 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.567 -0.708 . . . . 0.0 110.351 178.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.59 -38.61 14.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.594 -0.691 . . . . 0.0 110.175 177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -161.07 -64.9 0.06 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.616 -0.677 . . . . 0.0 110.202 177.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -167.57 120.21 0.91 Allowed 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.629 -0.669 . . . . 0.0 110.162 177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD21 ' CE1' ' A' ' 74' ' ' TYR . 2.1 tt -81.97 -26.22 34.12 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.486 -0.759 . . . . 0.0 110.302 177.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 p -71.73 64.93 0.48 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.427 -0.796 . . . . 0.0 110.155 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.14 -54.98 0.09 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.542 -0.724 . . . . 0.0 109.875 177.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.6 p -79.55 -14.28 58.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.538 -0.726 . . . . 0.0 110.799 176.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.481 ' CE1' HD21 ' A' ' 70' ' ' LEU . 12.1 m-85 -93.6 22.88 5.03 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.265 -0.897 . . . . 0.0 110.492 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.683 HG23 ' O ' ' A' ' 29' ' ' VAL . 51.7 mt -107.65 153.74 8.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.899 0 O-C-N 121.298 -0.877 . . . . 0.0 109.798 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.767 HD12 ' CE2' ' A' ' 7' ' ' TYR . 36.3 pt -108.44 -25.99 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.538 -0.726 . . . . 0.0 110.779 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.18 -159.56 32.71 Favored Glycine 0 N--CA 1.494 2.54 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.542 ' HG3' HG13 ' A' ' 4' ' ' VAL . 6.6 mt-10 -111.45 -179.04 3.6 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.614 -0.933 . . . . 0.0 110.132 177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.016 HD11 HD12 ' A' ' 9' ' ' LEU . 9.1 tt -106.65 152.31 23.93 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.553 -0.717 . . . . 0.0 110.149 177.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.531 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.65 111.57 4.29 Favored Pre-proline 0 N--CA 1.496 1.871 0 O-C-N 121.54 -0.725 . . . . 0.0 110.104 177.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.3 Cg_exo -53.25 -23.78 24.44 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 O-C-N 123.131 1.069 . . . . 0.0 111.168 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.54 ' HA ' HD11 ' A' ' 87' ' ' ILE . 0.5 OUTLIER -58.5 -26.53 63.54 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.413 -0.805 . . . . 0.0 110.626 179.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.762 ' HB3' HD22 ' A' ' 9' ' ' LEU . 5.4 m-20 -112.1 -25.09 9.51 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.457 -0.777 . . . . 0.0 110.554 178.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.487 ' HB2' HD22 ' A' ' 79' ' ' LEU . 3.1 tpm_? -58.62 -46.1 87.78 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.351 -0.843 . . . . 0.0 110.3 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.1 t -90.1 -155.06 0.35 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.566 -0.709 . . . . 0.0 110.044 177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -118.15 63.13 0.76 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.45 -0.781 . . . . 0.0 109.831 177.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.658 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.9 pp -145.86 29.7 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.592 -0.693 . . . . 0.0 110.318 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.89 64.73 0.51 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.546 -0.721 . . . . 0.0 110.147 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.62 175.8 2.71 Favored Pre-proline 0 N--CA 1.494 1.739 0 O-C-N 121.521 -0.737 . . . . 0.0 110.117 178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.475 ' HD2' HD13 ' A' ' 94' ' ' LEU . 50.1 Cg_exo -52.73 -29.18 41.0 Favored 'Trans proline' 0 N--CA 1.492 1.43 0 O-C-N 123.441 1.232 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.0 m 52.81 -159.31 0.13 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.362 -0.836 . . . . 0.0 110.855 177.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 56.6 -85.88 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.694 -0.629 . . . . 0.0 110.79 178.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.8 p -80.16 -28.97 38.7 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.166 -0.959 . . . . 0.0 110.18 178.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 94' ' ' LEU . 10.5 tt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.944 -1.027 . . . . 0.0 110.224 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.9 t70 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.081 0.467 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.2 pttt -109.31 31.83 5.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.567 -0.708 . . . . 0.0 110.362 178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -141.06 -177.59 5.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.603 -0.686 . . . . 0.0 110.147 178.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 78.8 t -129.75 128.68 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 121.494 -0.754 . . . . 0.0 110.187 178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.409 ' HD2' ' CE1' ' A' ' 7' ' ' TYR . 11.2 ptpt -112.65 -157.45 0.62 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.729 -0.607 . . . . 0.0 109.435 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -120.94 91.39 3.52 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.372 -0.83 . . . . 0.0 110.344 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.701 ' CB ' HD11 ' A' ' 12' ' ' ILE . 27.7 m-85 -61.16 171.7 1.25 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.572 -0.705 . . . . 0.0 109.957 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 77.3 p -110.03 146.51 35.21 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.54 -0.725 . . . . 0.0 110.009 177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.914 HD12 HD11 ' A' ' 79' ' ' LEU . 6.2 tp -55.02 -22.92 17.23 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.466 -0.772 . . . . 0.0 110.872 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -85.46 -27.29 25.78 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.415 -0.803 . . . . 0.0 110.445 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -83.4 -31.1 26.86 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.475 -0.766 . . . . 0.0 110.223 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.701 HD11 ' CB ' ' A' ' 7' ' ' TYR . 50.8 mm -77.11 -28.73 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.495 -0.753 . . . . 0.0 109.896 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -90.28 48.76 1.6 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.527 -0.733 . . . . 0.0 110.398 178.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -163.59 63.95 0.17 Allowed 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.478 -0.764 . . . . 0.0 110.452 177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 22.8 m-70 -145.26 152.84 40.58 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.54 -0.725 . . . . 0.0 110.252 177.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.64 143.84 53.17 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.564 -0.71 . . . . 0.0 110.291 178.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -111.55 -27.34 8.62 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.586 -0.696 . . . . 0.0 110.421 178.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.3 p -70.49 -39.45 74.18 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.514 -0.741 . . . . 0.0 110.259 178.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -84.82 -50.27 7.71 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.552 -0.717 . . . . 0.0 110.25 178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.615 ' HA ' HG23 ' A' ' 33' ' ' THR . 5.7 m -121.48 -170.52 2.05 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.628 -0.67 . . . . 0.0 110.151 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.804 ' HB ' HD11 ' A' ' 36' ' ' LEU . 7.7 t -154.44 121.22 5.52 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.493 -0.755 . . . . 0.0 110.349 178.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.646 ' HZ3' HD13 ' A' ' 12' ' ' ILE . 7.5 m0 -101.52 73.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.584 -0.698 . . . . 0.0 110.075 177.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CB ' HD22 ' A' ' 46' ' ' LEU . 69.5 t -79.73 138.14 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.604 -0.685 . . . . 0.0 109.834 177.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -98.98 137.55 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.58 -0.7 . . . . 0.0 109.88 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.622 HD21 ' CZ ' ' A' ' 58' ' ' PHE . 2.1 tp -145.95 123.84 12.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.63 -0.669 . . . . 0.0 109.774 178.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 53.61 57.62 5.94 Favored 'General case' 0 N--CA 1.502 2.136 0 O-C-N 121.255 -0.903 . . . . 0.0 110.471 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 14.2 t-160 55.42 21.24 4.14 Favored 'General case' 0 N--CA 1.5 2.037 0 O-C-N 121.403 -0.81 . . . . 0.0 111.098 178.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -122.01 149.98 42.72 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.346 -0.846 . . . . 0.0 110.071 176.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 HG11 HD12 ' A' ' 12' ' ' ILE . 38.7 t -104.09 126.58 58.7 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.499 -0.751 . . . . 0.0 109.654 178.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HB3' HD11 ' A' ' 32' ' ' LEU . 23.9 m-85 -102.88 131.54 49.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.546 -0.721 . . . . 0.0 111.051 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.543 ' HB2' HG21 ' A' ' 76' ' ' ILE . 28.0 t70 -105.28 78.4 1.38 Allowed 'General case' 0 N--CA 1.493 1.705 0 N-CA-C 108.701 -0.852 . . . . 0.0 108.701 170.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.683 HD22 HD11 ' A' ' 46' ' ' LEU . 1.1 mp -88.58 49.43 1.79 Allowed 'General case' 0 N--CA 1.498 1.93 0 O-C-N 121.57 -0.706 . . . . 0.0 110.499 -175.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HA ' ' A' ' 20' ' ' SER . 3.8 m -68.26 -42.11 80.09 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.382 -0.824 . . . . 0.0 109.949 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -61.83 -28.66 69.63 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.574 -0.704 . . . . 0.0 110.015 177.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.453 ' CE1' ' CG ' ' A' ' 39' ' ' HIS . 53.8 t80 -81.02 -30.22 34.96 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.497 -0.752 . . . . 0.0 109.864 177.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.804 HD11 ' HB ' ' A' ' 21' ' ' THR . 6.2 mt -61.01 -38.57 86.55 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.667 -0.646 . . . . 0.0 110.093 178.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -85.17 -23.99 28.13 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.669 -0.644 . . . . 0.0 110.552 178.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -79.62 -28.96 40.94 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.463 -0.773 . . . . 0.0 110.188 178.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CD2' HG22 ' A' ' 61' ' ' VAL . 7.8 m80 -122.41 86.68 48.45 Favored Pre-proline 0 N--CA 1.494 1.742 0 O-C-N 121.634 -0.666 . . . . 0.0 110.061 177.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.53 92.04 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 O-C-N 123.38 1.2 . . . . 0.0 111.085 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -113.78 -45.81 0.69 Allowed Glycine 0 N--CA 1.493 2.476 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 137.67 -116.37 1.34 Allowed Glycine 0 N--CA 1.493 2.475 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 177.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -62.33 -155.84 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.496 -1.002 . . . . 0.0 109.912 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -59.97 103.61 0.23 Allowed 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.404 -0.81 . . . . 0.0 110.168 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.835 HG23 HD12 ' A' ' 46' ' ' LEU . 35.3 m -64.81 -126.54 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 121.668 -0.645 . . . . 0.0 110.338 179.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD12 HG23 ' A' ' 45' ' ' VAL . 3.8 mp 55.93 102.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.444 -1.41 . . . . 0.0 110.771 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 54.35 21.7 3.34 Favored 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.603 -0.686 . . . . 0.0 111.325 177.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 49.26 26.65 1.6 Allowed 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.21 -0.931 . . . . 0.0 111.203 176.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 53.07 50.78 17.1 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.426 -0.796 . . . . 0.0 110.813 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -89.65 -159.46 0.59 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.646 -0.659 . . . . 0.0 110.155 178.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.84 107.55 0.33 Allowed Glycine 0 N--CA 1.494 2.526 0 N-CA-C 109.494 -1.442 . . . . 0.0 109.494 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 176.24 87.22 0.07 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 53.13 98.99 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -1.027 . . . . 0.0 110.845 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.3 124.72 28.25 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.508 -0.745 . . . . 0.0 110.168 177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 HG22 ' H ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -154.89 -158.25 0.83 Allowed 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.556 -0.715 . . . . 0.0 109.746 178.211 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' H ' HG22 ' A' ' 55' ' ' THR . 7.8 mt-10 -83.22 -23.55 32.75 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.486 -0.759 . . . . 0.0 110.56 177.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 43.6 p-10 -61.51 -20.23 62.98 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.427 -0.796 . . . . 0.0 110.857 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -60.94 -157.97 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.281 -0.887 . . . . 0.0 110.531 179.191 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 53.19 98.49 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.149 0 O-C-N 121.36 -0.838 . . . . 0.0 110.667 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -77.7 -28.98 51.11 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.581 -0.7 . . . . 0.0 110.184 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.59 HG22 ' CD2' ' A' ' 39' ' ' HIS . 8.6 p -139.55 143.94 29.74 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.629 -0.669 . . . . 0.0 110.157 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.92 -60.56 0.02 OUTLIER Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -147.32 178.66 8.23 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.585 -0.95 . . . . 0.0 110.174 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.8 m -113.0 36.55 3.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.478 -0.764 . . . . 0.0 110.281 178.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.4 t -121.6 168.37 11.83 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.571 -0.706 . . . . 0.0 110.249 178.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -116.05 30.28 7.44 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.517 -0.74 . . . . 0.0 110.21 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.82 -71.12 0.52 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.604 -0.685 . . . . 0.0 110.286 178.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -144.49 -173.6 4.08 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.559 -0.713 . . . . 0.0 110.265 177.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -82.27 174.91 10.71 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.593 -0.692 . . . . 0.0 110.219 178.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 6.2 tp -89.99 -28.56 19.02 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.542 -0.724 . . . . 0.0 110.235 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -74.44 73.26 1.89 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.525 -0.735 . . . . 0.0 110.105 178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 tmtt? -169.1 -40.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.583 -0.698 . . . . 0.0 110.279 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.4 p -97.29 -23.03 16.33 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.544 -0.723 . . . . 0.0 110.649 178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 79.1 m-85 -90.3 48.9 1.61 Allowed 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.362 -0.836 . . . . 0.0 110.341 178.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 76' ' ' ILE . 72.1 mt -117.06 166.86 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 O-C-N 121.453 -0.78 . . . . 0.0 110.101 178.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.543 HG21 ' HB2' ' A' ' 31' ' ' ASP . 29.2 pt -127.65 -36.3 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.933 0 O-C-N 121.577 -0.702 . . . . 0.0 110.939 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.411 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -175.9 -154.58 11.68 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.32 -1.512 . . . . 0.0 109.32 179.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 29.3 mt-10 -126.17 -179.5 4.75 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.596 -0.944 . . . . 0.0 110.329 177.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.914 HD11 HD12 ' A' ' 9' ' ' LEU . 7.9 tt -104.74 167.17 9.9 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.54 -0.725 . . . . 0.0 110.209 177.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.725 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -80.2 116.27 60.34 Favored Pre-proline 0 N--CA 1.495 1.781 0 O-C-N 121.582 -0.699 . . . . 0.0 110.11 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.432 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 50.1 Cg_exo -52.9 -24.12 23.25 Favored 'Trans proline' 0 N--CA 1.492 1.407 0 O-C-N 123.137 1.072 . . . . 0.0 111.242 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -59.21 -49.62 77.17 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.479 -0.763 . . . . 0.0 110.488 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.754 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.7 m-20 -80.4 -34.71 36.08 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.543 -0.723 . . . . 0.0 110.307 178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.628 ' HB2' HD22 ' A' ' 79' ' ' LEU . 4.4 ttt-85 -60.22 -60.84 3.19 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.517 -0.74 . . . . 0.0 110.069 177.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.0 t -63.67 -151.07 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.713 -0.617 . . . . 0.0 109.661 176.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.727 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -120.17 -101.19 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.255 -0.903 . . . . 0.0 109.228 176.426 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.727 HD13 ' O ' ' A' ' 86' ' ' LYS . 46.9 mm -140.35 49.6 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 120.74 -1.225 . . . . 0.0 109.913 176.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.68 135.4 35.52 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.556 -0.715 . . . . 0.0 110.181 177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -168.74 152.69 5.61 Favored Pre-proline 0 N--CA 1.492 1.648 0 O-C-N 121.54 -0.725 . . . . 0.0 110.223 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -50.74 150.69 12.01 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 O-C-N 123.484 1.255 . . . . 0.0 111.185 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.6 m -160.44 164.28 32.39 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.585 -0.697 . . . . 0.0 110.206 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -130.05 173.09 11.06 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.477 -0.764 . . . . 0.0 110.235 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.466 ' O ' HG22 ' A' ' 93' ' ' THR . 25.9 m -157.83 45.65 0.35 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.585 -0.697 . . . . 0.0 110.164 178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.54 ' C ' HD12 ' A' ' 94' ' ' LEU . 4.4 pp . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 117.942 -1.028 . . . . 0.0 110.418 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.182 0.515 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt 52.91 98.1 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.431 -0.793 . . . . 0.0 110.769 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -145.56 -174.23 4.34 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.589 -0.695 . . . . 0.0 110.224 178.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.56 HG13 ' C ' ' A' ' 77' ' ' GLY . 82.3 t -133.61 144.05 37.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.531 -0.73 . . . . 0.0 110.136 178.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -117.99 144.89 45.16 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.652 -0.655 . . . . 0.0 109.746 176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 82.13 5.96 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.462 -0.774 . . . . 0.0 110.202 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -61.44 -167.01 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.637 -0.664 . . . . 0.0 110.135 177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.9 p -119.36 155.52 31.77 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.449 -0.782 . . . . 0.0 110.508 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.943 HD12 HD11 ' A' ' 79' ' ' LEU . 11.2 tp -70.19 -28.9 65.67 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.658 -0.651 . . . . 0.0 110.185 177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -70.58 -28.19 64.68 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.566 -0.709 . . . . 0.0 110.16 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -70.1 -41.89 73.43 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.582 -0.699 . . . . 0.0 110.173 177.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.826 ' CD1' HD12 ' A' ' 79' ' ' LEU . 12.1 mt -65.27 -41.4 91.37 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.551 -0.718 . . . . 0.0 109.936 177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.28 49.06 1.64 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.575 -0.703 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -167.37 49.01 0.06 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.571 -0.705 . . . . 0.0 110.248 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.485 ' CE1' ' CE2' ' A' ' 22' ' ' TRP . 3.3 m-70 -124.6 28.71 6.49 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.567 -0.708 . . . . 0.0 110.269 177.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -27.97 69.21 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.623 -0.673 . . . . 0.0 110.353 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.72 -29.11 20.09 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.431 -0.793 . . . . 0.0 110.243 178.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -81.52 145.2 30.81 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.478 -0.764 . . . . 0.0 110.231 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -93.47 19.24 8.64 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.614 -0.679 . . . . 0.0 110.752 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.67 118.98 32.1 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.43 -0.794 . . . . 0.0 110.189 178.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -73.32 116.06 13.41 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.532 -0.73 . . . . 0.0 110.397 178.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.485 ' CE2' ' CE1' ' A' ' 15' ' ' HIS . 7.2 m95 -103.4 74.33 1.26 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.521 -0.737 . . . . 0.0 110.13 178.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 94.6 t -81.28 119.67 31.37 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.589 -0.694 . . . . 0.0 110.027 178.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD11 HG21 ' A' ' 12' ' ' ILE . 46.8 mm -79.57 137.5 21.59 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.631 -0.668 . . . . 0.0 110.118 178.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HB3' ' CE1' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -150.49 122.33 8.13 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.599 -0.688 . . . . 0.0 109.881 177.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 52.97 57.72 6.05 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 121.42 -0.8 . . . . 0.0 110.657 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.1 t-160 53.65 23.65 3.75 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.396 -0.815 . . . . 0.0 110.893 178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HE3' HD13 ' A' ' 75' ' ' ILE . 3.3 ttpt -121.62 149.25 43.45 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.504 -0.747 . . . . 0.0 110.256 177.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.686 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.8 t -103.3 124.37 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.566 -0.709 . . . . 0.0 109.752 178.04 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.563 ' HB3' HD11 ' A' ' 32' ' ' LEU . 61.6 m-85 -105.16 130.25 53.37 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.558 -0.714 . . . . 0.0 111.066 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.555 ' HB2' HG21 ' A' ' 76' ' ' ILE . 21.7 t0 -105.89 79.86 1.47 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.933 HD22 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -92.27 44.37 1.16 Allowed 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.581 -0.7 . . . . 0.0 110.35 -174.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.3 t -69.79 -23.94 63.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.508 -0.745 . . . . 0.0 110.34 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.409 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -79.5 -28.36 41.42 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.438 -0.788 . . . . 0.0 110.166 177.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.491 ' CE2' ' CE1' ' A' ' 39' ' ' HIS . 21.9 t80 -73.23 -29.22 62.63 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.521 -0.737 . . . . 0.0 110.036 177.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.601 HD11 ' OE1' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -66.31 -29.71 69.98 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.597 -0.689 . . . . 0.0 110.045 177.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -101.11 -20.15 15.46 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.624 -0.672 . . . . 0.0 110.742 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -79.6 -24.22 42.15 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.362 -0.836 . . . . 0.0 110.545 178.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.491 ' CE1' ' CE2' ' A' ' 35' ' ' PHE . 74.3 m80 -125.11 73.31 65.98 Favored Pre-proline 0 N--CA 1.494 1.745 0 O-C-N 121.409 -0.807 . . . . 0.0 110.35 177.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.24 -23.96 24.96 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 O-C-N 123.281 1.148 . . . . 0.0 111.135 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.497 ' O ' HG23 ' A' ' 61' ' ' VAL . . . -71.47 69.03 0.92 Allowed Glycine 0 N--CA 1.493 2.492 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 178.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 134.89 -31.23 2.74 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 177.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 56.56 -85.98 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.654 -0.91 . . . . 0.0 110.642 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.601 ' OE1' HD11 ' A' ' 36' ' ' LEU . 6.1 mm-40 -82.68 57.83 3.96 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.091 -1.006 . . . . 0.0 110.061 177.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -67.01 -40.71 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 O-C-N 121.549 -0.719 . . . . 0.0 110.073 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.933 HD13 HD22 ' A' ' 32' ' ' LEU . 16.2 mt -75.98 -53.71 7.98 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.609 -0.682 . . . . 0.0 110.412 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -107.01 70.38 0.79 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.485 -0.759 . . . . 0.0 110.337 178.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.59 -29.07 69.62 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.436 -0.79 . . . . 0.0 110.043 177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 53.26 44.78 29.72 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.488 -0.757 . . . . 0.0 110.766 177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -95.37 -29.34 14.49 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.652 -0.655 . . . . 0.0 110.217 178.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 137.83 48.84 0.07 OUTLIER Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -122.34 -126.33 3.19 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 178.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -167.49 -165.18 0.65 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.542 -0.975 . . . . 0.0 110.249 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.52 145.97 29.48 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.631 -0.668 . . . . 0.0 110.233 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.417 HG22 ' H ' ' A' ' 56' ' ' GLU . 4.6 m -153.61 173.61 15.55 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.489 -0.757 . . . . 0.0 110.218 178.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' H ' HG22 ' A' ' 55' ' ' THR . 8.1 tp10 -85.94 -37.45 19.05 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.67 -0.644 . . . . 0.0 110.145 178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -123.52 90.97 3.38 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.58 -0.7 . . . . 0.0 110.317 178.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 35.4 p90 -135.82 50.69 2.08 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.54 -0.725 . . . . 0.0 110.266 178.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -108.22 123.71 49.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.604 -0.685 . . . . 0.0 110.249 178.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 36.2 p-10 -119.12 67.68 0.79 Allowed 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.715 . . . . 0.0 110.347 178.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG23 ' O ' ' A' ' 41' ' ' GLY . 8.5 p -115.29 148.34 18.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.517 -0.739 . . . . 0.0 110.136 178.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -98.22 37.64 3.4 Favored Glycine 0 N--CA 1.493 2.466 0 N-CA-C 109.518 -1.433 . . . . 0.0 109.518 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -134.45 127.09 30.8 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.57 -0.959 . . . . 0.0 110.222 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 t 52.85 94.03 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.401 -0.812 . . . . 0.0 110.761 178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.9 p -82.08 106.19 13.78 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.625 -0.672 . . . . 0.0 110.186 178.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.4 m-20 -127.34 174.71 8.76 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.541 -0.725 . . . . 0.0 110.21 178.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -88.48 -64.89 1.08 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.464 -0.772 . . . . 0.0 110.178 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -70.1 152.0 44.82 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.594 -0.692 . . . . 0.0 110.195 178.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -99.06 -166.09 1.31 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.569 -0.707 . . . . 0.0 110.232 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.759 HD12 ' CD2' ' A' ' 74' ' ' TYR . 0.2 OUTLIER -90.73 20.14 4.93 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.544 -0.722 . . . . 0.0 110.942 177.844 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 84.0 p -77.21 73.9 3.78 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.211 -0.931 . . . . 0.0 110.221 178.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 75' ' ' ILE . 8.4 tmtt? -168.51 -41.0 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.575 -0.703 . . . . 0.0 110.253 177.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.2 p -99.99 -27.28 13.65 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.557 -0.715 . . . . 0.0 110.481 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.759 ' CD2' HD12 ' A' ' 70' ' ' LEU . 15.6 m-85 -90.7 48.8 1.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.298 178.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.478 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.9 mt -113.65 166.9 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.49 -0.756 . . . . 0.0 109.92 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.686 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.2 pt -125.81 -34.45 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.478 -0.764 . . . . 0.0 111.062 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.45 -152.94 11.51 Favored Glycine 0 N--CA 1.494 2.514 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.468 ' HG3' HG11 ' A' ' 4' ' ' VAL . 1.2 mt-10 -119.52 -170.88 2.02 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.586 -0.949 . . . . 0.0 110.129 177.528 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.943 HD11 HD12 ' A' ' 9' ' ' LEU . 5.2 tt -109.44 148.6 30.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.552 -0.718 . . . . 0.0 110.161 177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.488 ' O ' HD23 ' A' ' 79' ' ' LEU . 6.0 t-80 -60.95 117.42 25.48 Favored Pre-proline 0 N--CA 1.495 1.82 0 O-C-N 121.59 -0.694 . . . . 0.0 109.991 177.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.421 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.0 Cg_exo -52.7 -23.95 21.68 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 O-C-N 123.092 1.048 . . . . 0.0 111.246 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -54.94 -43.94 73.83 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.397 -0.814 . . . . 0.0 110.741 179.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.522 ' HB3' HD22 ' A' ' 9' ' ' LEU . 4.0 m-20 -79.82 -28.97 40.09 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.561 -0.712 . . . . 0.0 109.818 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' NH1' HD13 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -62.3 -157.26 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.582 -0.699 . . . . 0.0 109.879 176.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.3 t -90.2 100.21 13.08 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.492 -0.755 . . . . 0.0 110.42 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' CD ' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -139.97 22.04 2.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.561 -0.712 . . . . 0.0 110.6 176.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -147.68 43.0 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.381 -0.825 . . . . 0.0 110.236 177.687 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.94 21.7 4.04 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.585 -0.697 . . . . 0.0 111.01 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.4 mtmm 52.95 62.73 9.55 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.107 -0.995 . . . . 0.0 110.716 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.06 -60.43 0.71 Allowed 'Trans proline' 0 N--CA 1.491 1.35 0 O-C-N 123.302 1.159 . . . . 0.0 110.989 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 m -147.55 -159.54 1.04 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.646 -0.659 . . . . 0.0 110.195 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.466 ' C ' HG23 ' A' ' 93' ' ' THR . 3.5 tt0 -137.33 104.43 5.38 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.588 -0.695 . . . . 0.0 110.245 178.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.466 HG23 ' C ' ' A' ' 92' ' ' GLU . 34.7 p -152.13 149.34 28.68 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.599 -0.688 . . . . 0.0 110.14 178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 94' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.494 1.757 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.198 177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.129 0.49 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.0 mptt 52.78 -177.1 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.382 -0.824 . . . . 0.0 110.782 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -85.93 82.11 8.26 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.581 -0.699 . . . . 0.0 110.21 178.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 78' ' ' GLU . 72.9 t 54.18 105.24 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 O-C-N 121.424 -0.797 . . . . 0.0 110.667 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.85 147.98 31.53 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.49 -0.756 . . . . 0.0 109.607 174.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -79.81 96.57 6.34 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.422 -0.799 . . . . 0.0 110.518 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -79.31 -167.35 1.16 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.608 -0.682 . . . . 0.0 109.912 176.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.443 ' O ' HD12 ' A' ' 12' ' ' ILE . 20.0 p -132.59 177.24 7.76 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.53 -0.731 . . . . 0.0 110.351 178.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD13 HD21 ' A' ' 79' ' ' LEU . 6.1 tp -82.87 -28.23 30.2 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.7 -0.625 . . . . 0.0 110.252 178.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -79.09 -28.29 43.04 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.612 -0.68 . . . . 0.0 110.219 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -77.56 -34.94 53.56 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.602 -0.687 . . . . 0.0 110.247 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.613 ' CG2' HD11 ' A' ' 24' ' ' ILE . 75.4 mt -79.03 -29.35 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 O-C-N 121.574 -0.704 . . . . 0.0 109.975 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -90.26 49.11 1.64 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.544 -0.723 . . . . 0.0 110.306 177.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mttm -149.27 32.2 0.74 Allowed 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.518 -0.739 . . . . 0.0 110.233 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 28.4 m-70 -128.26 92.39 3.43 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.575 -0.703 . . . . 0.0 110.225 178.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.9 mttt -122.26 47.48 1.91 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.671 -0.643 . . . . 0.0 110.2 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -106.32 168.0 9.45 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.507 -0.746 . . . . 0.0 110.167 178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.2 m -93.69 45.94 1.17 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.591 -0.693 . . . . 0.0 110.197 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -125.25 -42.25 2.01 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.592 -0.693 . . . . 0.0 110.193 178.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 92.7 p -147.79 169.49 19.65 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.593 -0.692 . . . . 0.0 110.206 178.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.5 t -136.5 134.48 37.63 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.504 -0.748 . . . . 0.0 110.19 178.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.463 ' CE3' HG11 ' A' ' 29' ' ' VAL . 4.7 m0 -99.4 86.79 3.46 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.586 -0.696 . . . . 0.0 110.252 177.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.543 ' HB ' HD11 ' A' ' 32' ' ' LEU . 69.4 t -79.41 136.62 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.456 -0.777 . . . . 0.0 109.296 176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.613 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.5 mp -114.96 134.92 56.51 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.58 -0.7 . . . . 0.0 109.913 177.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 26' ' ' HIS . 3.9 mp -105.14 71.47 0.95 Allowed 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.91 26.8 0.02 OUTLIER 'General case' 0 N--CA 1.506 2.361 0 N-CA-C 112.67 0.618 . . . . 0.0 112.67 -177.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -179.92 -61.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.328 -0.858 . . . . 0.0 110.214 173.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.5 mttt -76.92 151.69 35.64 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.746 -0.596 . . . . 0.0 111.119 -177.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 HG11 ' CE3' ' A' ' 22' ' ' TRP . 46.3 t -109.85 119.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.735 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 175.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.507 ' HB3' HD11 ' A' ' 32' ' ' LEU . 22.8 m-85 -99.28 119.73 38.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.474 -0.766 . . . . 0.0 111.264 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HB2' HG21 ' A' ' 76' ' ' ILE . 7.5 t0 -96.35 81.95 3.35 Favored 'General case' 0 N--CA 1.494 1.737 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 169.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.711 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -89.95 45.59 1.29 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.556 -0.715 . . . . 0.0 110.831 -173.59 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.45 HG22 ' OD1' ' A' ' 31' ' ' ASP . 10.2 t -72.05 -26.52 62.22 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.371 -0.83 . . . . 0.0 110.213 176.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.418 ' HB3' ' CE1' ' A' ' 74' ' ' TYR . 15.6 ttmt -82.23 -21.02 36.55 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.582 -0.699 . . . . 0.0 110.516 177.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.602 ' HD1' HD23 ' A' ' 70' ' ' LEU . 68.9 t80 -85.89 -27.9 24.71 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.399 -0.813 . . . . 0.0 110.202 177.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.49 HD23 ' HA3' ' A' ' 41' ' ' GLY . 0.9 OUTLIER -61.0 -46.86 89.06 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.566 -0.709 . . . . 0.0 110.21 178.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.21 -24.31 63.09 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.541 -0.724 . . . . 0.0 110.502 178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -79.72 -67.89 0.72 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.441 -0.787 . . . . 0.0 110.104 178.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.498 ' CG ' ' CZ ' ' A' ' 35' ' ' PHE . 18.6 m80 -79.82 172.24 10.38 Favored Pre-proline 0 N--CA 1.493 1.694 0 O-C-N 121.475 -0.766 . . . . 0.0 109.903 177.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.54 -32.02 51.63 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 O-C-N 123.263 1.138 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.49 ' HA3' HD23 ' A' ' 36' ' ' LEU . . . 60.67 50.5 66.94 Favored Glycine 0 N--CA 1.495 2.57 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.1 63.94 2.04 Favored Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.798 -1.321 . . . . 0.0 109.798 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 56.69 -84.18 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 O-C-N 121.67 -0.9 . . . . 0.0 110.85 177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.54 46.97 1.38 Allowed 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.187 -0.945 . . . . 0.0 110.422 177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 1.013 HG13 HD12 ' A' ' 46' ' ' LEU . 8.6 p -61.58 -33.42 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 121.444 -0.785 . . . . 0.0 110.269 178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.013 HD12 HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -90.28 54.34 2.74 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.336 -0.853 . . . . 0.0 110.312 176.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.9 ttp180 53.16 47.08 25.25 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.405 -0.81 . . . . 0.0 110.864 177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 52.79 -176.5 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.375 -0.828 . . . . 0.0 110.985 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -79.63 -164.46 0.65 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.598 -0.689 . . . . 0.0 110.075 178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.7 98.29 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.446 -0.784 . . . . 0.0 110.8 177.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.53 -45.43 89.87 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 177.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.79 -87.97 0.14 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 177.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.1 -167.94 1.75 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.552 -0.97 . . . . 0.0 110.154 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.78 -159.34 0.24 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.624 -0.672 . . . . 0.0 110.158 178.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 18.5 p -81.17 91.79 6.21 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.589 -0.694 . . . . 0.0 110.231 178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -145.0 131.26 19.53 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.622 -0.674 . . . . 0.0 110.301 178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 52.9 52.18 14.41 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.438 -0.789 . . . . 0.0 110.794 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -124.79 30.31 5.96 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.548 -0.72 . . . . 0.0 110.309 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -136.65 -164.88 1.64 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.588 -0.695 . . . . 0.0 110.316 178.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -115.21 110.1 18.96 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.609 -0.682 . . . . 0.0 110.266 178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.464 HG22 ' N ' ' A' ' 62' ' ' GLY . 8.6 p -61.57 166.77 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.563 -0.711 . . . . 0.0 110.097 178.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.464 ' N ' HG22 ' A' ' 61' ' ' VAL . . . 86.12 62.45 1.58 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.499 -1.441 . . . . 0.0 109.499 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -165.39 -158.99 0.4 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.583 -0.951 . . . . 0.0 110.168 178.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 59.9 p -158.73 -146.01 0.14 Allowed 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 177.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 61.4 m 53.22 97.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.001 -1.062 . . . . 0.0 110.576 175.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.0 100.32 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.419 -0.8 . . . . 0.0 110.687 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.93 -27.84 67.11 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.631 -0.668 . . . . 0.0 110.35 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mmt-85 -61.01 145.13 51.83 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.541 -0.724 . . . . 0.0 110.163 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -80.21 175.09 10.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.602 -0.686 . . . . 0.0 110.237 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.602 HD23 ' HD1' ' A' ' 35' ' ' PHE . 11.2 tp -90.85 42.54 1.11 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.56 -0.712 . . . . 0.0 110.707 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.0 p -100.39 70.89 1.52 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.426 -0.796 . . . . 0.0 110.225 177.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -168.52 -40.55 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.537 -0.727 . . . . 0.0 110.189 178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 73.8 p -96.96 30.38 2.73 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.494 -0.754 . . . . 0.0 110.371 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' CE2' HD21 ' A' ' 70' ' ' LEU . 92.3 m-85 -152.01 29.17 0.58 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.432 -0.792 . . . . 0.0 110.207 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 76' ' ' ILE . 71.2 mt -102.43 164.8 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.521 -0.737 . . . . 0.0 109.716 177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.521 HG21 ' HB2' ' A' ' 31' ' ' ASP . 40.4 pt -121.6 -32.74 1.39 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 121.406 -0.809 . . . . 0.0 111.036 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -176.99 -153.26 10.62 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 4' ' ' VAL . 55.0 mt-10 -132.2 -169.06 2.15 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.599 -0.942 . . . . 0.0 110.582 179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.75 HD21 HD13 ' A' ' 9' ' ' LEU . 11.4 tp -96.16 162.16 13.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.664 -0.647 . . . . 0.0 110.466 177.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.443 ' CD2' ' HD2' ' A' ' 81' ' ' PRO . 28.9 t-80 -85.82 147.01 44.84 Favored Pre-proline 0 N--CA 1.493 1.692 0 O-C-N 121.554 -0.716 . . . . 0.0 110.069 176.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.443 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 50.4 Cg_exo -53.72 -22.27 22.43 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 O-C-N 123.421 1.222 . . . . 0.0 111.385 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.32 -61.43 2.49 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.308 -0.87 . . . . 0.0 110.785 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.459 ' HB3' HD22 ' A' ' 9' ' ' LEU . 2.8 m-20 -84.92 -21.73 29.54 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.463 -0.773 . . . . 0.0 110.928 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 5.5 mtp180 -54.51 -59.78 4.23 Favored 'General case' 0 N--CA 1.502 2.153 0 O-C-N 121.284 -0.885 . . . . 0.0 110.535 178.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 p -90.03 -74.61 0.48 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.627 -0.671 . . . . 0.0 110.163 177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.59 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -169.94 -76.12 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.491 -0.755 . . . . 0.0 109.771 177.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 86' ' ' LYS . 50.7 mm -135.99 56.37 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.569 -0.707 . . . . 0.0 109.925 177.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.89 55.11 3.38 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.49 -0.756 . . . . 0.0 110.228 178.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' N ' ' CD ' ' A' ' 90' ' ' PRO . 0.2 OUTLIER -85.03 -50.12 0.57 Allowed Pre-proline 0 N--CA 1.495 1.822 0 O-C-N 121.563 -0.711 . . . . 0.0 110.486 177.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 89' ' ' LYS . 50.2 Cg_exo -52.12 160.34 3.3 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 O-C-N 123.196 1.103 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.8 t -167.69 79.44 0.18 Allowed 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.606 -0.684 . . . . 0.0 110.169 178.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -164.54 -71.69 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 110.173 178.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 94' ' ' LEU . 4.4 m -82.09 173.77 11.85 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.547 -0.721 . . . . 0.0 110.217 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 ' H ' HG22 ' A' ' 93' ' ' THR . 4.7 mp . . . . . 0 N--CA 1.493 1.71 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.212 178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.049 0.452 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -130.4 -165.84 1.6 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.511 -0.743 . . . . 0.0 110.194 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -82.1 -158.76 0.26 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.509 -0.745 . . . . 0.0 110.252 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 68.4 t -78.36 134.13 28.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 O-C-N 121.543 -0.723 . . . . 0.0 110.066 177.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.7 tttm -110.1 148.4 31.81 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.627 -0.671 . . . . 0.0 109.531 174.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -79.72 80.68 6.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.437 -0.79 . . . . 0.0 110.228 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -61.33 141.85 57.3 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.629 -0.669 . . . . 0.0 110.006 177.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.8 p -84.91 157.28 20.91 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.611 -0.681 . . . . 0.0 110.406 178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 83' ' ' ASP . 11.5 tp -59.44 -26.84 65.53 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.576 -0.703 . . . . 0.0 110.434 178.251 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -77.75 -26.98 50.31 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.508 -0.745 . . . . 0.0 110.394 178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.94 -29.28 49.83 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.557 -0.715 . . . . 0.0 110.225 178.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' CG2' HD11 ' A' ' 24' ' ' ILE . 51.3 mm -77.1 -37.08 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.553 -0.717 . . . . 0.0 109.955 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.31 49.06 1.63 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.591 -0.693 . . . . 0.0 110.205 177.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -131.28 37.87 3.68 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.463 -0.773 . . . . 0.0 110.308 178.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.425 ' CE1' ' CD1' ' A' ' 22' ' ' TRP . 65.2 m-70 -115.47 108.22 16.19 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.587 -0.695 . . . . 0.0 110.121 177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.38 -44.04 0.19 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.646 -0.659 . . . . 0.0 110.323 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -79.75 -68.08 0.7 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.541 -0.725 . . . . 0.0 110.267 178.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -61.26 161.41 9.02 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.522 -0.736 . . . . 0.0 110.077 177.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -104.07 136.37 43.84 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.527 -0.733 . . . . 0.0 110.15 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.2 t -171.88 -159.12 0.14 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.598 -0.689 . . . . 0.0 109.873 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.606 HG23 ' O ' ' A' ' 21' ' ' THR . 8.1 t -159.44 82.54 0.76 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.451 -0.78 . . . . 0.0 110.281 176.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.431 ' CE3' HG11 ' A' ' 29' ' ' VAL . 7.7 m95 -83.61 83.03 8.05 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.568 -0.707 . . . . 0.0 110.245 177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.9 HG21 ' HB3' ' A' ' 46' ' ' LEU . 82.7 t -84.56 142.24 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.63 -0.669 . . . . 0.0 110.181 178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.482 ' N ' HD12 ' A' ' 24' ' ' ILE . 5.0 mp -114.13 137.21 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 174.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' A' ' 30' ' ' TYR . 8.4 mp -103.58 -75.65 0.61 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.525 -0.735 . . . . 0.0 110.625 -179.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -120.64 -41.65 2.57 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.467 -0.771 . . . . 0.0 109.789 176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' A' ' 81' ' ' PRO . 6.5 t-160 -159.02 25.83 0.21 Allowed 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.571 -0.706 . . . . 0.0 110.262 175.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 48.2 mttt -126.85 143.11 51.36 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.472 -0.767 . . . . 0.0 110.25 178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.443 HG21 HD11 ' A' ' 12' ' ' ILE . 47.5 t -99.76 118.67 46.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.688 -0.633 . . . . 0.0 109.515 177.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.706 ' CE1' HD13 ' A' ' 25' ' ' LEU . 28.3 m-85 -95.55 122.62 38.49 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.487 -0.758 . . . . 0.0 111.133 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.579 ' OD1' HG22 ' A' ' 33' ' ' THR . 38.6 t0 -100.95 83.8 2.58 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 170.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.93 HD22 ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -95.8 29.4 2.69 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.619 -0.676 . . . . 0.0 110.315 -174.54 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.579 HG22 ' OD1' ' A' ' 31' ' ' ASP . 8.0 t -60.21 -28.69 68.19 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.407 -0.808 . . . . 0.0 110.259 177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -77.12 -40.04 47.24 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.502 -0.748 . . . . 0.0 109.847 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.439 ' CE2' ' NE2' ' A' ' 39' ' ' HIS . 29.1 t80 -64.5 -37.99 89.46 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.646 -0.659 . . . . 0.0 109.764 176.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.737 HD23 ' O ' ' A' ' 36' ' ' LEU . 2.9 tt -61.23 -31.86 71.65 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.652 -0.655 . . . . 0.0 110.125 177.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -91.4 -24.98 19.57 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.649 -0.657 . . . . 0.0 110.509 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -79.74 -27.02 40.6 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.447 -0.783 . . . . 0.0 110.276 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.439 ' NE2' ' CE2' ' A' ' 35' ' ' PHE . 68.9 m-70 -109.53 98.42 32.37 Favored Pre-proline 0 N--CA 1.494 1.748 0 O-C-N 121.502 -0.749 . . . . 0.0 110.015 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -51.99 102.32 0.06 OUTLIER 'Trans proline' 0 N--CA 1.492 1.435 0 O-C-N 123.368 1.194 . . . . 0.0 111.0 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.94 55.8 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.689 ' HA3' HD21 ' A' ' 36' ' ' LEU . . . -71.07 70.25 0.79 Allowed Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.731 -1.347 . . . . 0.0 109.731 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -139.23 -45.42 0.46 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.63 -0.923 . . . . 0.0 109.946 177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -100.23 -27.64 13.4 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.592 -0.692 . . . . 0.0 110.324 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 45' ' ' VAL . 32.9 m -59.3 104.42 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.967 0 O-C-N 121.505 -0.747 . . . . 0.0 110.416 179.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.93 ' CD1' HD22 ' A' ' 32' ' ' LEU . 1.5 mt 47.73 27.34 1.05 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.39 -0.819 . . . . 0.0 111.47 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 23.3 mtt-85 -109.68 -27.6 9.27 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.644 -0.66 . . . . 0.0 110.322 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -60.11 117.92 5.71 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.484 -0.76 . . . . 0.0 110.39 178.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -119.56 -164.71 1.09 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.562 -0.711 . . . . 0.0 110.145 178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.22 29.36 8.3 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.38 -0.825 . . . . 0.0 110.712 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.61 110.93 1.06 Allowed Glycine 0 N--CA 1.492 2.386 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.2 -111.35 0.01 OUTLIER Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 52.87 -165.69 0.07 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.381 -1.07 . . . . 0.0 110.806 178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.68 -166.38 1.07 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.61 -0.681 . . . . 0.0 110.153 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.6 t -59.35 -25.66 64.4 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.517 -0.74 . . . . 0.0 110.548 178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 56.4 -86.33 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.643 -0.661 . . . . 0.0 110.823 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -143.94 35.59 1.25 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.066 -1.022 . . . . 0.0 110.23 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 52.26 -88.89 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.615 -0.678 . . . . 0.0 111.365 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.1 mp0 -122.38 -51.47 1.97 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.939 -1.101 . . . . 0.0 110.235 178.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 29.7 t70 50.24 66.87 1.02 Allowed 'General case' 0 N--CA 1.5 2.067 0 O-C-N 121.407 -0.808 . . . . 0.0 110.863 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.2 m -100.44 46.06 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.59 -0.694 . . . . 0.0 110.292 178.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.27 52.51 46.54 Favored Glycine 0 N--CA 1.493 2.464 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -86.51 155.83 20.35 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.586 -0.949 . . . . 0.0 110.181 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 97.1 p -157.15 44.39 0.37 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.571 -0.706 . . . . 0.0 110.208 178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.787 HG23 ' OD2' ' A' ' 66' ' ' ASP . 7.5 t -168.27 -177.22 3.18 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.59 -0.694 . . . . 0.0 110.248 177.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.787 ' OD2' HG23 ' A' ' 65' ' ' THR . 3.3 p30 38.94 -156.42 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.469 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 178.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 169.7 8.07 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 178.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 28.2 mtt-85 -85.11 -72.09 0.5 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.608 -0.682 . . . . 0.0 110.199 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -123.05 107.43 11.78 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.559 -0.713 . . . . 0.0 110.219 178.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -90.86 20.95 4.4 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.551 -0.718 . . . . 0.0 111.095 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 p -61.72 -26.28 67.95 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.176 -0.953 . . . . 0.0 110.314 178.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.63 ' HG3' HG23 ' A' ' 73' ' ' THR . 5.0 pttm -68.98 -22.36 64.1 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.555 -0.715 . . . . 0.0 110.825 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.63 HG23 ' HG3' ' A' ' 72' ' ' LYS . 62.4 p -93.25 -23.19 18.61 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.336 -0.852 . . . . 0.0 110.61 179.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' CD1' HD12 ' A' ' 70' ' ' LEU . 4.8 m-85 -92.75 44.52 1.16 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.33 -0.856 . . . . 0.0 110.48 178.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 72' ' ' LYS . 70.3 mt -107.96 166.19 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 121.528 -0.732 . . . . 0.0 109.927 177.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.458 ' N ' HG22 ' A' ' 75' ' ' ILE . 32.8 pt -121.72 -34.1 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.465 -0.772 . . . . 0.0 110.798 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -175.22 -147.42 6.24 Favored Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.25 -1.54 . . . . 0.0 109.25 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 34.3 mt-10 -133.28 -175.5 3.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.597 -0.943 . . . . 0.0 110.303 176.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 80' ' ' HIS . 8.9 tt -106.83 162.74 13.53 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.611 -0.68 . . . . 0.0 110.366 178.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.65 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.6 t-80 -81.37 118.43 72.22 Favored Pre-proline 0 N--CA 1.494 1.746 0 O-C-N 121.606 -0.684 . . . . 0.0 110.203 178.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HG3' ' CE1' ' A' ' 27' ' ' HIS . 50.1 Cg_exo -53.39 -23.12 23.03 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 O-C-N 123.141 1.074 . . . . 0.0 111.279 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -55.69 -49.03 74.07 Favored 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.369 -0.832 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.689 ' HB3' HD22 ' A' ' 9' ' ' LEU . 48.3 m-20 -93.67 -22.38 18.79 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.502 -0.749 . . . . 0.0 110.708 179.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.541 ' CG ' HD22 ' A' ' 79' ' ' LEU . 1.4 tmm_? -58.27 -45.97 86.9 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.389 -0.82 . . . . 0.0 110.439 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.455 ' O ' HG23 ' A' ' 87' ' ' ILE . 1.3 m -90.07 8.17 34.05 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.532 -0.73 . . . . 0.0 111.074 177.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt 54.89 56.19 6.93 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.1 -1.0 . . . . 0.0 110.396 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 87' ' ' ILE . 2.9 pp -143.36 31.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.602 -0.686 . . . . 0.0 110.327 178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.95 -75.22 0.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.541 -0.724 . . . . 0.0 110.005 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt 51.7 63.65 9.02 Favored Pre-proline 0 N--CA 1.502 2.127 0 O-C-N 121.34 -0.85 . . . . 0.0 110.867 177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.4 91.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.491 1.35 0 O-C-N 123.287 1.151 . . . . 0.0 110.963 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.1 t -144.85 28.55 1.26 Allowed 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.479 -0.763 . . . . 0.0 110.288 178.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 52.92 98.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.364 -0.835 . . . . 0.0 110.814 177.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.459 ' O ' HG22 ' A' ' 93' ' ' THR . 19.5 m -149.07 29.0 0.81 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.492 -0.755 . . . . 0.0 110.229 177.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.416 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.115 178.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.099 0.476 . . . . 0.0 110.215 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -164.06 46.89 0.11 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.557 -0.714 . . . . 0.0 110.21 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 t70 52.83 -176.23 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.438 -0.789 . . . . 0.0 110.844 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.872 HG11 ' OE1' ' A' ' 78' ' ' GLU . 69.2 t -82.88 140.9 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.599 -0.688 . . . . 0.0 110.15 178.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -101.5 140.99 35.04 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.674 -0.641 . . . . 0.0 109.439 174.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -79.63 77.99 6.21 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.449 -0.782 . . . . 0.0 110.262 179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.67 ' CE2' HD12 ' A' ' 76' ' ' ILE . 34.1 m-85 -62.07 -162.96 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.601 -0.687 . . . . 0.0 109.853 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 12' ' ' ILE . 76.2 p -136.59 168.55 19.28 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.484 -0.76 . . . . 0.0 110.541 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.771 HD13 HD21 ' A' ' 79' ' ' LEU . 4.5 tp -72.1 -31.85 66.43 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.645 -0.659 . . . . 0.0 110.095 177.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -66.79 -27.11 67.31 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.627 -0.67 . . . . 0.0 110.328 177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -79.9 -28.85 39.79 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.522 -0.737 . . . . 0.0 110.417 178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.856 HG21 HD11 ' A' ' 24' ' ' ILE . 7.8 mt -88.12 -22.55 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.482 -0.761 . . . . 0.0 110.306 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -90.45 21.47 3.9 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.317 -0.864 . . . . 0.0 111.215 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -144.48 51.06 1.28 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.233 -0.917 . . . . 0.0 110.335 177.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -122.2 132.84 54.65 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.623 -0.673 . . . . 0.0 110.179 178.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.4 mttt -80.83 -167.94 1.59 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.517 -0.739 . . . . 0.0 110.132 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.21 -70.47 0.52 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.632 -0.667 . . . . 0.0 110.215 177.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.4 m 52.78 -159.65 0.12 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.413 -0.804 . . . . 0.0 110.749 177.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -86.75 -28.89 22.76 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.52 -0.738 . . . . 0.0 110.236 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 96.0 p -93.16 173.11 7.89 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.573 -0.705 . . . . 0.0 110.203 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.736 ' CG2' HD12 ' A' ' 36' ' ' LEU . 7.0 t -162.42 135.58 6.0 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.559 -0.713 . . . . 0.0 110.593 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -94.42 77.53 3.88 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.709 -0.619 . . . . 0.0 109.905 176.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.742 HG11 ' CD2' ' A' ' 46' ' ' LEU . 58.8 t -79.61 117.5 25.45 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.609 -0.682 . . . . 0.0 109.865 179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 12' ' ' ILE . 48.4 mm -79.42 136.68 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 O-C-N 121.52 -0.738 . . . . 0.0 110.544 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.474 HD11 ' CG ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -133.58 84.61 2.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.659 -0.651 . . . . 0.0 109.671 176.852 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 54.56 87.58 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.035 0 O-C-N 121.462 -0.774 . . . . 0.0 110.746 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 54.05 26.79 6.79 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.5 -0.75 . . . . 0.0 111.266 176.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -135.77 142.17 44.9 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.311 -0.868 . . . . 0.0 110.409 176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.475 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.4 t -107.58 126.18 63.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 O-C-N 121.541 -0.724 . . . . 0.0 109.65 177.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.494 ' HB3' HD11 ' A' ' 32' ' ' LEU . 24.5 m-85 -108.26 129.69 55.2 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.756 . . . . 0.0 111.129 -179.256 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -102.91 82.93 2.16 Favored 'General case' 0 N--CA 1.492 1.658 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 169.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.85 HD13 HD11 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -91.89 42.54 1.11 Allowed 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.634 -0.666 . . . . 0.0 110.653 -174.157 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -62.12 -26.42 68.29 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.47 -0.768 . . . . 0.0 110.212 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.77 -31.38 51.93 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.527 -0.733 . . . . 0.0 110.43 178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.619 ' CE1' HD21 ' A' ' 70' ' ' LEU . 85.6 t80 -89.91 -43.09 10.82 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.436 -0.79 . . . . 0.0 110.369 178.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD12 ' CG2' ' A' ' 21' ' ' THR . 1.8 tt -50.66 -26.49 5.51 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.34 -0.85 . . . . 0.0 110.839 -178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -95.38 -21.89 18.08 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.559 -0.713 . . . . 0.0 110.669 177.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -79.52 -36.93 37.75 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.418 -0.801 . . . . 0.0 109.977 178.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.441 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 65.7 m80 -135.09 61.79 48.28 Favored Pre-proline 0 N--CA 1.495 1.813 0 O-C-N 121.62 -0.675 . . . . 0.0 109.72 176.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.49 -65.76 0.13 Allowed 'Trans proline' 0 N--CA 1.49 1.313 0 O-C-N 123.217 1.114 . . . . 0.0 111.324 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.73 -71.19 0.7 Allowed Glycine 0 N--CA 1.495 2.57 0 N-CA-C 108.912 -1.675 . . . . 0.0 108.912 -179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -141.01 -66.32 0.03 OUTLIER Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.482 -1.847 . . . . 0.0 108.482 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -173.41 -45.09 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.583 -0.951 . . . . 0.0 109.866 173.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -102.29 98.45 8.58 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.417 -0.802 . . . . 0.0 110.216 175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 46' ' ' LEU . 20.2 m -134.23 -47.33 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.925 0 O-C-N 121.291 -0.881 . . . . 0.0 110.765 176.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.85 HD11 HD13 ' A' ' 32' ' ' LEU . 1.4 mp 55.66 -81.62 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.592 -0.693 . . . . 0.0 111.365 176.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' VAL . 34.9 mtp180 -144.71 -45.05 0.24 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.005 -1.06 . . . . 0.0 110.197 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -152.58 41.75 0.62 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.509 -0.744 . . . . 0.0 110.29 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -85.24 100.58 11.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.501 -0.749 . . . . 0.0 110.272 178.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.49 -53.32 0.12 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.594 -0.691 . . . . 0.0 110.185 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.39 41.19 2.22 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.78 114.02 0.29 Allowed Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -102.08 137.1 40.8 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.555 -0.968 . . . . 0.0 110.24 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.86 91.16 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.331 -0.856 . . . . 0.0 110.836 178.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 56' ' ' GLU . 3.8 m -153.71 174.81 14.02 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.607 -0.683 . . . . 0.0 110.139 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' H ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER -60.19 -26.91 66.72 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.53 -0.731 . . . . 0.0 110.356 178.132 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -114.38 103.11 10.73 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.462 -0.774 . . . . 0.0 110.061 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.474 ' CG ' HD11 ' A' ' 25' ' ' LEU . 36.4 p90 -136.3 26.45 3.19 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.501 -0.749 . . . . 0.0 110.456 178.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HA ' ' CB ' ' A' ' 47' ' ' ARG . 1.5 pt-20 -120.54 -179.87 4.11 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.504 -0.748 . . . . 0.0 110.253 178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -133.81 -164.48 1.5 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.538 -0.726 . . . . 0.0 110.307 177.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.548 HG13 ' O ' ' A' ' 61' ' ' VAL . 8.8 p -165.72 118.55 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.619 -0.675 . . . . 0.0 110.19 177.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.9 110.42 3.01 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.0 m80 -159.41 -61.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.614 -0.933 . . . . 0.0 110.207 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.4 t -162.06 -42.64 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.606 -0.683 . . . . 0.0 110.192 178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.9 t -142.76 42.54 1.58 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.622 -0.674 . . . . 0.0 110.166 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 52.99 98.56 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.443 -0.786 . . . . 0.0 110.751 178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 1.088 ' HB1' HD13 ' A' ' 70' ' ' LEU . . . -90.38 47.23 1.41 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.552 -0.717 . . . . 0.0 110.382 177.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.77 -28.01 68.05 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.454 -0.779 . . . . 0.0 110.507 178.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.453 ' O ' HG22 ' A' ' 73' ' ' THR . 9.5 tt0 -93.81 41.58 1.09 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.577 -0.702 . . . . 0.0 110.669 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.088 HD13 ' HB1' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -90.08 -65.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.486 -0.759 . . . . 0.0 109.816 176.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -71.57 65.05 0.45 Allowed 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.509 -0.744 . . . . 0.0 110.064 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' HA ' ' CD1' ' A' ' 75' ' ' ILE . 25.4 tptt -167.23 -60.74 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.608 -0.682 . . . . 0.0 109.936 178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.453 HG22 ' O ' ' A' ' 69' ' ' GLU . 9.7 t -74.87 -23.48 58.41 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.56 -0.713 . . . . 0.0 110.491 177.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -89.95 47.47 1.46 Allowed 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.393 -0.817 . . . . 0.0 110.25 177.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.443 HG12 ' CD2' ' A' ' 30' ' ' TYR . 73.3 mt -125.7 156.29 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.412 -0.805 . . . . 0.0 110.246 178.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.67 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.8 pt -116.24 -24.79 3.41 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.668 -0.645 . . . . 0.0 110.886 178.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.699 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 174.0 -143.81 7.23 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 109.262 -1.535 . . . . 0.0 109.262 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.872 ' OE1' HG11 ' A' ' 4' ' ' VAL . 34.3 mt-10 -141.76 -170.05 3.04 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.54 -0.976 . . . . 0.0 110.234 176.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.771 HD21 HD13 ' A' ' 9' ' ' LEU . 27.6 tp -100.06 153.17 19.43 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.628 -0.67 . . . . 0.0 110.113 177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -72.83 134.07 81.67 Favored Pre-proline 0 N--CA 1.495 1.777 0 O-C-N 121.651 -0.655 . . . . 0.0 110.01 177.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 50.4 Cg_exo -54.17 -22.56 26.14 Favored 'Trans proline' 0 N--CA 1.493 1.453 0 O-C-N 123.118 1.062 . . . . 0.0 111.214 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.434 ' HA ' HD12 ' A' ' 87' ' ' ILE . 8.7 t0 -56.94 -60.27 3.82 Favored 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.383 -0.823 . . . . 0.0 110.824 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.751 ' HB3' HD22 ' A' ' 9' ' ' LEU . 55.5 m-20 -79.92 -8.3 59.24 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.51 -0.744 . . . . 0.0 111.331 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' HG2' HD23 ' A' ' 79' ' ' LEU . 11.1 mmm180 -59.49 -82.34 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.181 -0.949 . . . . 0.0 110.496 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 41.3 m -90.75 -86.52 0.21 Allowed 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.226 -0.921 . . . . 0.0 110.589 178.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.28 90.04 0.05 OUTLIER 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.024 -1.047 . . . . 0.0 110.08 178.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -82.84 6.67 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.505 2.284 0 O-C-N 121.599 -0.688 . . . . 0.0 111.147 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -69.31 74.93 0.36 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.162 -0.961 . . . . 0.0 110.132 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.669 ' HD3' HG22 ' A' ' 93' ' ' THR . 0.0 OUTLIER -58.93 111.51 3.78 Favored Pre-proline 0 N--CA 1.496 1.86 0 O-C-N 121.493 -0.755 . . . . 0.0 110.384 178.182 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.5 -38.94 55.09 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 O-C-N 123.121 1.064 . . . . 0.0 111.234 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -167.74 -41.45 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.568 -0.707 . . . . 0.0 110.32 178.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.79 137.98 58.41 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.541 -0.724 . . . . 0.0 110.233 178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.669 HG22 ' HD3' ' A' ' 89' ' ' LYS . 41.0 p -125.48 -72.06 0.68 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.636 -0.665 . . . . 0.0 110.237 178.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.335 178.525 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 . . . . . 0 N--CA 1.495 1.797 0 CA-C-O 120.758 0.313 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -157.53 150.56 23.35 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.36 -0.837 . . . . 0.0 110.152 178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.449 ' OD2' HG23 ' A' ' 4' ' ' VAL . 11.6 p-10 -113.05 -172.5 2.07 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.302 178.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 78' ' ' GLU . 97.7 t 53.29 91.12 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 O-C-N 121.453 -0.779 . . . . 0.0 110.684 178.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 2.1 tttp -84.1 158.12 21.51 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.551 -0.718 . . . . 0.0 109.643 175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -85.74 86.27 7.37 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.5 -0.75 . . . . 0.0 110.463 179.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.91 ' HB3' HD11 ' A' ' 12' ' ' ILE . 80.1 m-85 -75.04 135.35 41.25 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.601 -0.687 . . . . 0.0 109.8 176.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.5 p -92.04 130.52 37.76 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.532 -0.73 . . . . 0.0 110.083 178.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.617 HD21 ' C ' ' A' ' 83' ' ' ASP . 4.2 pp -57.22 -25.37 58.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.441 -0.787 . . . . 0.0 110.452 176.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.527 ' N ' HD12 ' A' ' 9' ' ' LEU . 3.7 mm-40 -59.15 -38.76 80.49 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.495 -0.753 . . . . 0.0 110.161 176.305 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -87.42 -26.25 23.38 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.539 -0.726 . . . . 0.0 110.548 178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.91 HD11 ' HB3' ' A' ' 7' ' ' TYR . 70.5 mt -82.86 -18.98 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 121.523 -0.736 . . . . 0.0 110.694 178.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -88.92 48.91 1.69 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.212 -0.93 . . . . 0.0 110.32 178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -168.48 33.61 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.481 -0.762 . . . . 0.0 110.031 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -102.13 -168.71 1.57 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.598 -0.689 . . . . 0.0 110.22 178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 mttm -91.92 163.73 13.91 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.619 -0.676 . . . . 0.0 110.21 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -111.1 -27.51 8.7 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.514 -0.742 . . . . 0.0 110.36 178.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 53.6 p -60.52 -28.27 68.27 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.476 -0.765 . . . . 0.0 110.264 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -147.22 166.37 27.22 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.509 -0.744 . . . . 0.0 110.361 178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.0 t 52.88 69.08 0.74 Allowed 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.355 -0.841 . . . . 0.0 110.785 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 21' ' ' THR . 8.3 t -76.96 113.93 15.2 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.541 -0.724 . . . . 0.0 110.314 178.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.456 ' HE3' HG23 ' A' ' 12' ' ' ILE . 8.5 m95 -99.03 66.44 1.55 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.448 -0.783 . . . . 0.0 110.131 178.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.469 HG21 ' HB3' ' A' ' 46' ' ' LEU . 80.5 t -81.95 152.66 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.494 -0.754 . . . . 0.0 109.915 178.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 28' ' ' LYS . 5.0 mp -123.44 138.16 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.74 0 O-C-N 121.545 -0.722 . . . . 0.0 109.839 178.109 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.627 HD21 ' CZ ' ' A' ' 58' ' ' PHE . 3.0 mm? -82.31 -76.02 0.28 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.547 -0.721 . . . . 0.0 110.118 178.22 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -124.16 -51.85 1.76 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.529 -0.732 . . . . 0.0 109.728 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -142.25 24.12 1.97 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.628 -0.67 . . . . 0.0 110.241 176.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 24' ' ' ILE . 15.0 mtmt -123.88 138.16 54.53 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.473 -0.767 . . . . 0.0 110.183 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.745 ' CG1' HD11 ' A' ' 76' ' ' ILE . 58.5 t -94.11 125.47 46.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.768 178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.513 ' HB3' HD11 ' A' ' 32' ' ' LEU . 29.9 m-85 -107.68 129.41 55.02 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.569 -0.707 . . . . 0.0 111.175 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 76' ' ' ILE . 22.1 t0 -105.93 77.95 1.29 Allowed 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 170.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -87.93 49.74 1.86 Allowed 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.628 -0.67 . . . . 0.0 110.466 -174.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.8 t -70.03 -25.3 63.5 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.395 -0.816 . . . . 0.0 110.266 176.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -75.81 -30.28 58.99 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.464 -0.773 . . . . 0.0 109.926 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.73 ' CD1' HD21 ' A' ' 70' ' ' LEU . 75.8 t80 -74.9 -41.93 58.78 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.635 -0.666 . . . . 0.0 109.77 176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD21 ' HD2' ' A' ' 47' ' ' ARG . 0.6 OUTLIER -60.71 -35.39 76.19 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.554 -0.716 . . . . 0.0 110.119 178.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -96.53 26.14 4.63 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.558 -0.714 . . . . 0.0 110.358 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -104.69 -30.18 10.11 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.515 -0.74 . . . . 0.0 109.969 177.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -128.32 85.93 59.17 Favored Pre-proline 0 N--CA 1.493 1.684 0 O-C-N 121.607 -0.683 . . . . 0.0 109.974 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.29 96.11 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.418 0 O-C-N 123.34 1.179 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 112.27 30.99 2.74 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.392 -1.483 . . . . 0.0 109.392 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.8 -33.76 87.83 Favored Glycine 0 N--CA 1.493 2.456 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 67.32 -63.05 0.3 Allowed 'General case' 0 N--CA 1.507 2.384 0 O-C-N 121.659 -0.907 . . . . 0.0 110.844 177.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -93.57 38.54 1.06 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.339 -0.851 . . . . 0.0 110.61 178.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.483 HG11 ' HG ' ' A' ' 36' ' ' LEU . 97.1 t -73.29 170.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 O-C-N 121.456 -0.777 . . . . 0.0 109.508 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.904 HD13 HD13 ' A' ' 32' ' ' LEU . 2.0 mt -52.18 -26.35 11.32 Favored 'General case' 0 N--CA 1.503 2.18 0 O-C-N 121.318 -0.864 . . . . 0.0 111.089 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' HD2' HD21 ' A' ' 36' ' ' LEU . 8.1 ptm180 -58.41 -27.3 64.17 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.469 -0.77 . . . . 0.0 110.517 178.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -79.09 -63.28 1.45 Allowed 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.497 -0.752 . . . . 0.0 110.208 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 52.72 95.61 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.436 -0.79 . . . . 0.0 110.799 178.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.45 99.79 8.17 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.561 -0.712 . . . . 0.0 110.199 178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.92 109.39 1.78 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -98.94 30.85 9.0 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -126.09 -42.54 1.86 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.63 -0.924 . . . . 0.0 110.214 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.23 -165.4 1.79 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.604 -0.685 . . . . 0.0 110.185 177.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -82.37 -63.11 1.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.48 -0.762 . . . . 0.0 110.239 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 52.91 98.09 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.177 0 O-C-N 121.376 -0.827 . . . . 0.0 110.74 178.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 52.9 98.36 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.322 -0.861 . . . . 0.0 110.783 178.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.627 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 12.3 t80 -90.28 -56.33 3.25 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.569 -0.707 . . . . 0.0 110.226 178.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -80.35 124.85 29.22 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 110.244 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.83 -36.04 10.74 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.513 -0.742 . . . . 0.0 110.141 178.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.468 HG22 ' N ' ' A' ' 62' ' ' GLY . 9.0 p -144.43 167.04 11.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.651 -0.656 . . . . 0.0 110.253 178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.468 ' N ' HG22 ' A' ' 61' ' ' VAL . . . -102.46 168.09 18.33 Favored Glycine 0 N--CA 1.494 2.515 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.784 ' HB2' ' HB2' ' A' ' 67' ' ' ALA . 15.1 m80 -111.39 -26.85 8.9 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.536 -0.979 . . . . 0.0 110.321 178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.537 ' O ' HG23 ' A' ' 65' ' ' THR . 8.2 p 51.16 37.7 18.98 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.552 -0.718 . . . . 0.0 110.99 178.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 64' ' ' SER . 6.3 p -154.94 -72.11 0.12 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.602 -0.686 . . . . 0.0 110.169 177.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -124.8 43.27 3.07 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.528 -0.732 . . . . 0.0 110.141 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.784 ' HB2' ' HB2' ' A' ' 63' ' ' HIS . . . -83.26 -156.78 0.21 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.664 -0.647 . . . . 0.0 110.241 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? 55.55 172.65 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.105 0 O-C-N 121.502 -0.749 . . . . 0.0 110.747 178.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 52.71 23.74 2.85 Favored 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.382 -0.824 . . . . 0.0 111.017 178.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.73 HD21 ' CD1' ' A' ' 35' ' ' PHE . 0.4 OUTLIER -90.75 -63.68 1.24 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.458 -0.777 . . . . 0.0 110.09 177.694 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.3 p -71.31 67.34 0.48 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.575 -0.703 . . . . 0.0 110.186 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -168.46 -40.92 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.503 -0.748 . . . . 0.0 110.071 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.416 HG22 ' H ' ' A' ' 73' ' ' THR . 8.3 t -99.31 -22.0 15.79 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.571 -0.706 . . . . 0.0 110.565 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.428 ' CD2' ' HG ' ' A' ' 70' ' ' LEU . 28.9 m-85 -90.91 47.76 1.45 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.396 -0.815 . . . . 0.0 110.112 178.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.462 HG22 ' N ' ' A' ' 76' ' ' ILE . 73.0 mt -123.52 165.32 20.07 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 O-C-N 121.381 -0.824 . . . . 0.0 110.23 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.745 HD11 ' CG1' ' A' ' 29' ' ' VAL . 31.4 pt -127.63 -35.81 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 121.53 -0.732 . . . . 0.0 110.965 179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.414 ' N ' HG13 ' A' ' 76' ' ' ILE . . . -177.13 -154.23 11.8 Favored Glycine 0 N--CA 1.493 2.478 0 N-CA-C 109.637 -1.385 . . . . 0.0 109.637 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.509 ' HG3' HG13 ' A' ' 4' ' ' VAL . 10.8 mt-10 -110.92 -168.23 1.28 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.581 -0.952 . . . . 0.0 110.355 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' O ' ' A' ' 7' ' ' TYR . 69.1 tp -110.49 159.5 17.46 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.586 -0.696 . . . . 0.0 110.044 177.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -85.72 113.61 52.22 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.629 -0.669 . . . . 0.0 110.013 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.525 ' O ' HD13 ' A' ' 87' ' ' ILE . 50.4 Cg_exo -53.2 -22.79 20.81 Favored 'Trans proline' 0 N--CA 1.492 1.401 0 O-C-N 123.185 1.097 . . . . 0.0 111.39 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -53.94 -54.3 40.78 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.32 -0.862 . . . . 0.0 111.266 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.617 ' C ' HD21 ' A' ' 9' ' ' LEU . 41.2 m-20 -83.94 -14.94 49.67 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.364 -0.835 . . . . 0.0 111.28 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.467 ' HD3' HD23 ' A' ' 79' ' ' LEU . 10.9 mmm-85 -51.15 -82.24 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.097 -1.002 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.1 t -90.87 -87.11 0.2 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.153 -0.967 . . . . 0.0 110.408 178.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -175.66 70.88 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.105 -0.997 . . . . 0.0 109.755 178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 87' ' ' ILE . 5.2 mp -90.95 49.89 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.353 -0.842 . . . . 0.0 110.082 179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.02 -158.45 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.476 -0.765 . . . . 0.0 109.976 177.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.7 mttt -168.32 143.79 3.0 Favored Pre-proline 0 N--CA 1.491 1.623 0 O-C-N 121.532 -0.73 . . . . 0.0 110.085 177.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.24 -176.58 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.433 0 O-C-N 123.359 1.189 . . . . 0.0 111.043 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.6 m -76.27 -40.95 50.47 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.549 -0.719 . . . . 0.0 110.17 177.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -167.92 80.63 0.18 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.55 -0.719 . . . . 0.0 110.261 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 65.9 m -159.93 -64.61 0.07 Allowed 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.533 -0.729 . . . . 0.0 110.202 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 tp . . . . . 0 N--CA 1.493 1.706 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.128 178.147 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 121.083 0.468 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.31 31.34 0.07 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.49 -0.756 . . . . 0.0 110.274 178.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -92.34 -177.81 4.75 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.548 -0.72 . . . . 0.0 110.155 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.659 HG13 ' C ' ' A' ' 77' ' ' GLY . 94.3 t -80.77 145.1 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.591 -0.693 . . . . 0.0 110.067 178.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.27 -156.07 0.59 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.572 -0.705 . . . . 0.0 109.903 176.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -132.53 96.39 3.83 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.495 -0.753 . . . . 0.0 110.298 177.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.836 ' CE2' HD12 ' A' ' 76' ' ' ILE . 37.2 m-85 -81.5 135.21 35.6 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.574 -0.704 . . . . 0.0 110.251 177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 61.1 p -67.08 151.69 47.15 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.587 -0.695 . . . . 0.0 110.04 177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.767 HD22 ' O ' ' A' ' 83' ' ' ASP . 7.7 tp -66.49 -28.84 68.88 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.567 -0.708 . . . . 0.0 110.203 178.191 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -69.47 -27.84 65.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.573 -0.705 . . . . 0.0 110.194 177.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -77.86 -26.27 49.21 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.534 -0.729 . . . . 0.0 110.396 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 24' ' ' ILE . 68.5 mt -83.8 -20.18 9.15 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.889 0 O-C-N 121.527 -0.733 . . . . 0.0 110.478 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.0 mt-30 -90.35 48.71 1.59 Allowed 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.335 -0.853 . . . . 0.0 110.352 178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.08 26.42 0.88 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -0.758 . . . . 0.0 110.452 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' CE1' ' CG ' ' A' ' 22' ' ' TRP . 53.7 m-70 -98.64 -156.06 0.53 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.562 -0.711 . . . . 0.0 109.725 177.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt 56.67 52.4 9.7 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.127 -0.983 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -168.36 -45.48 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.651 -0.656 . . . . 0.0 109.845 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -169.55 50.49 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.602 -0.686 . . . . 0.0 110.054 177.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -136.94 -152.67 0.45 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.51 -0.743 . . . . 0.0 109.928 178.626 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.422 ' HB3' HG22 ' A' ' 33' ' ' THR . 18.7 m -102.23 -158.76 0.69 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.26 -0.9 . . . . 0.0 110.48 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.684 HG23 ' H ' ' A' ' 32' ' ' LEU . 7.2 t -103.53 86.84 2.71 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.567 -0.708 . . . . 0.0 110.442 178.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.495 ' CG ' ' CE1' ' A' ' 15' ' ' HIS . 5.6 m95 -80.0 75.76 6.73 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.465 -0.772 . . . . 0.0 110.273 177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.2 t -79.6 137.74 21.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 121.591 -0.693 . . . . 0.0 109.332 176.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.417 HD11 HG21 ' A' ' 12' ' ' ILE . 7.1 mt -109.77 136.85 44.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.378 -0.826 . . . . 0.0 110.456 -179.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.749 HD23 ' CD1' ' A' ' 30' ' ' TYR . 4.2 mm? -98.9 51.22 0.96 Allowed 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.671 -0.643 . . . . 0.0 109.45 175.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.403 ' CE1' ' OD2' ' A' ' 53' ' ' ASP . 46.5 m-70 56.92 18.97 4.2 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.614 -0.679 . . . . 0.0 110.887 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.404 ' CE1' ' OE2' ' A' ' 78' ' ' GLU . 13.3 t-160 -176.29 -62.54 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.271 -0.893 . . . . 0.0 110.04 176.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 78' ' ' GLU . 24.1 mttp -80.75 147.55 30.48 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.683 -0.636 . . . . 0.0 110.495 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.0 t -100.81 125.68 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.533 -0.73 . . . . 0.0 109.582 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.749 ' CD1' HD23 ' A' ' 25' ' ' LEU . 23.3 m-85 -107.14 123.54 48.4 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 111.034 -178.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' OD1' HG23 ' A' ' 33' ' ' THR . 14.1 t0 -105.48 85.58 2.27 Favored 'General case' 0 N--CA 1.494 1.756 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 170.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -96.8 69.69 2.46 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 121.543 -0.723 . . . . 0.0 110.28 -173.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.44 HG23 ' OD1' ' A' ' 31' ' ' ASP . 77.1 p -67.72 -41.59 83.25 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.422 -0.799 . . . . 0.0 109.964 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -60.53 -30.77 69.96 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.57 -0.706 . . . . 0.0 109.85 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.548 ' CE2' HD12 ' A' ' 46' ' ' LEU . 80.8 t80 -80.65 -43.23 20.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.594 -0.691 . . . . 0.0 109.485 175.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 36' ' ' LEU . 3.3 tm? -61.95 -30.28 70.81 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.779 -0.575 . . . . 0.0 109.738 177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -77.37 -29.46 53.27 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.582 -0.699 . . . . 0.0 110.243 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -85.41 -28.9 24.81 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.574 -0.704 . . . . 0.0 110.206 177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CE1' ' A' ' 35' ' ' PHE . 67.1 m80 -119.62 84.84 31.32 Favored Pre-proline 0 N--CA 1.493 1.713 0 O-C-N 121.534 -0.729 . . . . 0.0 110.252 178.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.98 103.09 0.08 OUTLIER 'Trans proline' 0 N--CA 1.492 1.404 0 O-C-N 123.357 1.188 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -151.79 -88.77 0.07 OUTLIER Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.545 ' O ' HD23 ' A' ' 36' ' ' LEU . . . -173.26 -149.76 7.06 Favored Glycine 0 N--CA 1.494 2.504 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.7 -72.39 0.19 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.545 -0.974 . . . . 0.0 110.217 177.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -70.58 69.03 0.4 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.611 -0.681 . . . . 0.0 110.297 178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -108.82 -19.37 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.518 -0.739 . . . . 0.0 110.683 178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.714 HD13 HD13 ' A' ' 32' ' ' LEU . 1.5 mp -57.33 169.94 0.56 Allowed 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.268 -0.895 . . . . 0.0 110.15 177.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -71.86 64.55 0.5 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.611 -0.681 . . . . 0.0 110.177 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -155.55 112.41 3.22 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.449 -0.782 . . . . 0.0 110.175 177.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.62 -155.9 0.48 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.625 -0.672 . . . . 0.0 109.993 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.39 82.33 0.05 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.525 -0.734 . . . . 0.0 110.178 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 172.48 -89.07 0.08 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.2 -84.72 0.06 OUTLIER Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.403 ' OD2' ' CE1' ' A' ' 26' ' ' HIS . 12.4 t70 53.48 99.46 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.128 0 O-C-N 121.386 -1.067 . . . . 0.0 110.737 177.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.34 167.67 13.8 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.497 -0.752 . . . . 0.0 110.263 177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.616 HG23 ' CD ' ' A' ' 56' ' ' GLU . 8.1 t -106.9 -154.85 0.53 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.494 -0.754 . . . . 0.0 110.165 178.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.616 ' CD ' HG23 ' A' ' 55' ' ' THR . 2.5 mp0 57.25 -85.9 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.514 -0.741 . . . . 0.0 110.484 178.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.59 72.03 6.24 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.099 -1.001 . . . . 0.0 109.899 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.636 ' CD1' HD12 ' A' ' 25' ' ' LEU . 27.8 m-85 -59.32 -169.42 0.01 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.555 -0.716 . . . . 0.0 110.355 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -106.5 117.19 33.38 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.579 -0.701 . . . . 0.0 110.3 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -136.46 153.38 51.07 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.62 -0.675 . . . . 0.0 110.184 178.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.7 p -167.33 162.53 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.596 -0.69 . . . . 0.0 110.189 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.56 -149.19 15.94 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -135.87 -70.33 0.48 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.612 -0.934 . . . . 0.0 110.257 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 9.6 t -131.85 -52.8 0.99 Allowed 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.657 -0.652 . . . . 0.0 110.219 178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 66' ' ' ASP . 7.8 t -132.3 -40.52 1.01 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.548 -0.72 . . . . 0.0 110.61 178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' HG23 ' A' ' 65' ' ' THR . 7.7 t0 -62.17 118.44 7.38 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -82.56 58.18 4.07 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.612 -0.68 . . . . 0.0 110.267 178.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mtt-85 -81.21 174.44 11.54 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.559 -0.713 . . . . 0.0 110.165 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -112.75 141.21 46.82 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.529 -0.732 . . . . 0.0 110.207 178.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD11 ' CD1' ' A' ' 35' ' ' PHE . 0.1 OUTLIER -81.29 -53.95 5.91 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.585 -0.697 . . . . 0.0 110.241 178.18 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 p -84.3 56.63 3.86 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.555 -0.716 . . . . 0.0 110.23 177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -146.03 -66.1 0.3 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.495 -0.753 . . . . 0.0 110.356 178.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.4 t -94.12 20.85 7.46 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.543 -0.723 . . . . 0.0 110.703 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.401 ' CD1' ' O ' ' A' ' 70' ' ' LEU . 36.2 m-85 -115.85 28.81 8.39 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.387 -0.82 . . . . 0.0 109.796 177.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 30' ' ' TYR . 68.4 mt -113.79 157.99 14.29 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.537 -0.727 . . . . 0.0 110.789 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.836 HD12 ' CE2' ' A' ' 7' ' ' TYR . 3.6 pt -121.84 -26.17 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 121.667 -0.646 . . . . 0.0 111.092 179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.659 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 177.06 -147.41 8.32 Favored Glycine 0 N--CA 1.493 2.491 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG3' HG11 ' A' ' 4' ' ' VAL . 4.5 mt-10 -132.79 -166.81 1.81 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.518 -0.99 . . . . 0.0 110.744 178.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -103.34 132.29 49.71 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.732 -0.605 . . . . 0.0 109.846 177.23 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.635 ' N ' HD13 ' A' ' 79' ' ' LEU . 6.2 t-80 -60.86 114.55 10.69 Favored Pre-proline 0 N--CA 1.497 1.911 0 O-C-N 121.345 -0.847 . . . . 0.0 109.469 173.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -49.74 -24.91 10.6 Favored 'Trans proline' 0 N--CA 1.493 1.476 0 O-C-N 122.988 0.994 . . . . 0.0 111.687 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -59.14 -25.44 63.88 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.459 -0.775 . . . . 0.0 110.802 178.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HD22 ' A' ' 9' ' ' LEU . 63.6 m-20 -134.07 -5.21 2.73 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.29 -0.881 . . . . 0.0 112.134 -178.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.517 ' HB2' HD12 ' A' ' 79' ' ' LEU . 51.4 ttp180 -50.82 -48.79 59.72 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.938 -1.101 . . . . 0.0 110.845 179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 58.3 m -90.18 -78.0 0.38 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.557 -0.714 . . . . 0.0 110.048 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.41 ' N ' ' CD ' ' A' ' 86' ' ' LYS . 0.0 OUTLIER -170.22 32.14 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.311 -0.868 . . . . 0.0 110.968 176.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.575 HG22 ' O ' ' A' ' 87' ' ' ILE . 3.6 mp -89.64 49.22 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 O-C-N 121.387 -0.821 . . . . 0.0 110.187 177.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.76 44.99 1.22 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.499 -0.751 . . . . 0.0 110.479 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.7 mttm 51.73 62.55 10.72 Favored Pre-proline 0 N--CA 1.502 2.143 0 O-C-N 121.341 -0.85 . . . . 0.0 110.783 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.89 -26.74 32.36 Favored 'Trans proline' 0 N--CA 1.49 1.304 0 O-C-N 123.303 1.159 . . . . 0.0 111.057 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 37.9 t 52.81 81.23 0.09 Allowed 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.358 -0.839 . . . . 0.0 110.733 178.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -85.1 -165.56 1.24 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.526 -0.734 . . . . 0.0 110.196 177.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.2 m -83.05 -61.46 1.85 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.547 -0.721 . . . . 0.0 110.176 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 N--CA 1.494 1.727 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.204 178.105 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.064 0.459 . . . . 0.0 110.168 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -135.21 83.16 2.0 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.526 -0.734 . . . . 0.0 110.231 178.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -167.64 -160.08 0.33 Allowed 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.548 -0.72 . . . . 0.0 110.197 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.528 HG11 ' CD ' ' A' ' 78' ' ' GLU . 75.9 t -82.3 141.86 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.71 0 O-C-N 121.559 -0.713 . . . . 0.0 110.04 178.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -115.82 147.68 40.74 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.732 -0.605 . . . . 0.0 109.683 175.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CD2' ' HD3' ' A' ' 81' ' ' PRO . 10.1 m-85 -79.89 86.78 5.38 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.51 -0.744 . . . . 0.0 110.285 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -61.48 -169.36 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.617 -0.677 . . . . 0.0 110.066 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 45.2 p -130.88 147.9 52.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.561 -0.712 . . . . 0.0 110.279 177.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.775 HD12 HD11 ' A' ' 79' ' ' LEU . 5.9 tp -60.89 -27.72 68.36 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.569 -0.707 . . . . 0.0 110.295 178.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -74.58 -31.12 61.96 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.525 -0.734 . . . . 0.0 110.356 178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -79.72 -26.1 40.94 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.523 -0.736 . . . . 0.0 110.431 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 HD12 ' HA ' ' A' ' 9' ' ' LEU . 57.3 mt -79.3 -32.6 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.514 -0.741 . . . . 0.0 109.994 178.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -90.33 48.7 1.59 Allowed 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.6 -0.687 . . . . 0.0 110.42 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 58.84 0.47 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 177.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' CE1' ' NE1' ' A' ' 22' ' ' TRP . 24.1 m-70 -114.41 85.45 2.24 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.561 -0.712 . . . . 0.0 110.188 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -139.26 28.22 2.29 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.688 -0.632 . . . . 0.0 110.298 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -103.26 -72.33 0.7 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.522 -0.736 . . . . 0.0 110.16 177.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 96.6 p -102.3 -158.25 0.66 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.623 -0.673 . . . . 0.0 110.043 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.6 tttt -103.8 137.03 42.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.482 -0.761 . . . . 0.0 110.08 177.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.6 m -170.54 -168.99 0.75 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.589 -0.694 . . . . 0.0 110.11 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 21' ' ' THR . 8.0 t -160.57 118.16 2.47 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.597 -0.69 . . . . 0.0 110.251 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.646 ' CE3' HG11 ' A' ' 29' ' ' VAL . 6.8 m95 -107.05 82.98 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.549 -0.719 . . . . 0.0 110.123 177.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.407 HG11 ' HB3' ' A' ' 46' ' ' LEU . 93.7 t -85.55 104.05 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.786 0 O-C-N 121.673 -0.642 . . . . 0.0 110.18 178.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.796 HD12 HG22 ' A' ' 29' ' ' VAL . 44.6 mm -79.37 137.2 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.382 -0.824 . . . . 0.0 109.631 176.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.658 HD13 ' CE1' ' A' ' 30' ' ' TYR . 6.2 mp -105.77 -83.71 0.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.433 -0.792 . . . . 0.0 110.245 178.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -110.24 -27.43 9.11 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.208 -0.933 . . . . 0.0 110.124 176.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CE1' ' OE1' ' A' ' 78' ' ' GLU . 8.6 t-160 -167.18 -40.42 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.62 -0.675 . . . . 0.0 109.739 177.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -63.48 142.5 58.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.547 -0.721 . . . . 0.0 110.395 177.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.796 HG22 HD12 ' A' ' 24' ' ' ILE . 59.5 t -100.11 124.03 53.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.662 -0.649 . . . . 0.0 109.504 176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CE1' HD13 ' A' ' 25' ' ' LEU . 24.8 m-85 -92.59 114.23 26.72 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.528 -0.733 . . . . 0.0 111.021 -178.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' HB2' HD13 ' A' ' 76' ' ' ILE . 24.9 t0 -95.29 72.99 3.31 Favored 'General case' 0 N--CA 1.492 1.662 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 170.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -79.18 57.95 2.39 Favored 'General case' 0 N--CA 1.498 1.94 0 O-C-N 121.672 -0.643 . . . . 0.0 110.446 -174.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 64.3 p -66.98 -47.95 69.98 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.359 -0.838 . . . . 0.0 110.09 177.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -60.63 -25.11 66.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.643 -0.661 . . . . 0.0 110.482 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 39' ' ' HIS . 9.2 t80 -89.97 -27.68 19.63 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.5 -0.75 . . . . 0.0 110.304 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.599 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.4 tt -65.16 -26.14 68.04 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.571 -0.706 . . . . 0.0 110.398 178.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -104.68 -25.4 12.72 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.577 -0.702 . . . . 0.0 110.529 178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' A' ' 39' ' ' HIS . 50.9 tt0 -86.41 -40.9 14.91 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.378 -0.827 . . . . 0.0 110.011 177.53 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 35' ' ' PHE . 46.9 m80 -132.83 65.28 73.87 Favored Pre-proline 0 N--CA 1.494 1.733 0 O-C-N 121.592 -0.693 . . . . 0.0 109.813 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' O ' HG13 ' A' ' 45' ' ' VAL . 50.1 Cg_exo -52.44 -53.6 6.61 Favored 'Trans proline' 0 N--CA 1.491 1.371 0 O-C-N 123.288 1.152 . . . . 0.0 111.132 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.69 -68.6 0.99 Allowed Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.37 -1.492 . . . . 0.0 109.37 178.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.78 -52.85 0.05 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.263 -1.535 . . . . 0.0 109.263 176.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -168.8 -66.46 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.549 -0.971 . . . . 0.0 110.031 177.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 45' ' ' VAL . 7.1 mt-10 -100.41 -7.97 23.77 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.5 -0.75 . . . . 0.0 111.07 177.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER 43.85 -168.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.515 2.814 0 O-C-N 121.34 -0.85 . . . . 0.0 111.5 179.246 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.726 HD13 HD13 ' A' ' 32' ' ' LEU . 3.9 mp 52.47 -88.75 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.444 -0.785 . . . . 0.0 111.233 -179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -135.66 109.44 8.09 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.018 -1.052 . . . . 0.0 110.22 177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -97.25 30.56 2.76 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.588 -0.695 . . . . 0.0 110.224 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.9 mp0 52.85 27.19 5.19 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.419 -0.801 . . . . 0.0 110.762 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -107.64 164.48 12.19 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.56 -0.712 . . . . 0.0 110.21 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.39 146.31 50.34 Favored Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.539 -1.425 . . . . 0.0 109.539 178.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 106.84 169.42 22.47 Favored Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 178.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 t0 53.35 -179.17 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.46 -1.023 . . . . 0.0 110.749 178.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -168.15 -158.94 0.26 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.59 -0.694 . . . . 0.0 110.162 178.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.4 t -104.99 28.15 7.48 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.537 -0.727 . . . . 0.0 110.33 177.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -123.37 28.52 7.02 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.512 -0.742 . . . . 0.0 110.209 177.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -168.49 46.22 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.583 -0.698 . . . . 0.0 110.178 178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.62 ' CE2' HD11 ' A' ' 25' ' ' LEU . 2.5 m-85 -77.38 -68.88 0.57 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.56 -0.713 . . . . 0.0 110.194 178.319 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -77.03 92.03 3.69 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.595 -0.691 . . . . 0.0 110.116 178.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -110.57 103.8 12.44 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.609 -0.682 . . . . 0.0 110.189 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.539 ' CG1' ' HB2' ' A' ' 67' ' ' ALA . 35.5 m -61.19 -169.4 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.596 -0.69 . . . . 0.0 110.204 178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 139.58 -33.81 2.1 Favored Glycine 0 N--CA 1.492 2.407 0 N-CA-C 109.524 -1.431 . . . . 0.0 109.524 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -123.94 28.52 6.81 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.595 -0.944 . . . . 0.0 110.316 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.87 134.03 2.03 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.557 -0.714 . . . . 0.0 110.19 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.6 p -89.88 50.83 1.95 Allowed 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.517 -0.74 . . . . 0.0 110.212 178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -164.43 75.36 0.3 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.54 -0.725 . . . . 0.0 110.236 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.539 ' HB2' ' CG1' ' A' ' 61' ' ' VAL . . . -61.41 -65.26 0.72 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.544 -0.723 . . . . 0.0 110.158 177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 53.62 21.69 2.7 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.365 -0.834 . . . . 0.0 111.318 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 53.45 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.391 -0.818 . . . . 0.0 110.774 178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' HG ' ' CE1' ' A' ' 74' ' ' TYR . 6.7 tp -77.41 -25.46 50.8 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.599 -0.688 . . . . 0.0 110.38 178.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.6 p -72.03 64.52 0.53 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.479 -0.763 . . . . 0.0 110.287 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.612 ' HA ' HD12 ' A' ' 75' ' ' ILE . 1.8 tptt -158.7 -68.16 0.09 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.558 -0.714 . . . . 0.0 109.89 177.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.677 HG23 ' CD1' ' A' ' 74' ' ' TYR . 9.0 t -63.18 -17.28 62.23 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.518 -0.738 . . . . 0.0 110.645 176.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.677 ' CD1' HG23 ' A' ' 73' ' ' THR . 64.9 m-85 -94.57 26.28 3.54 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.267 -0.896 . . . . 0.0 110.486 178.407 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' A' ' 72' ' ' LYS . 70.2 mt -116.74 162.73 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.875 0 O-C-N 121.409 -0.807 . . . . 0.0 109.938 178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD13 ' HB2' ' A' ' 31' ' ' ASP . 31.4 pt -124.89 -35.03 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 111.124 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.494 ' C ' HG13 ' A' ' 4' ' ' VAL . . . -175.34 -152.7 9.56 Favored Glycine 0 N--CA 1.495 2.592 0 N-CA-C 109.842 -1.303 . . . . 0.0 109.842 179.219 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.528 ' CD ' HG11 ' A' ' 4' ' ' VAL . 10.9 mt-10 -126.56 -167.71 1.76 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.632 -0.923 . . . . 0.0 110.124 178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.775 HD11 HD12 ' A' ' 9' ' ' LEU . 2.0 tt -106.83 166.31 10.69 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.557 -0.715 . . . . 0.0 109.984 176.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.5 ' N ' HD23 ' A' ' 79' ' ' LEU . 19.3 t-80 -81.07 133.01 55.05 Favored Pre-proline 0 N--CA 1.495 1.798 0 O-C-N 121.536 -0.728 . . . . 0.0 110.189 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.45 ' HD3' ' CD2' ' A' ' 6' ' ' TYR . 50.4 Cg_exo -53.06 -23.73 22.89 Favored 'Trans proline' 0 N--CA 1.492 1.403 0 O-C-N 123.086 1.045 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -56.58 -55.16 37.38 Favored 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.377 -0.827 . . . . 0.0 110.532 178.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.53 ' OD1' HD22 ' A' ' 9' ' ' LEU . 3.2 m-20 -79.89 -24.0 41.45 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.56 -0.713 . . . . 0.0 110.387 177.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 3.6 tpm_? -58.03 -61.89 2.21 Favored 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.347 -0.846 . . . . 0.0 110.061 177.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.4 m -79.8 -149.0 0.05 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.652 -0.655 . . . . 0.0 109.445 175.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.837 ' O ' HD13 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -110.55 -92.62 0.45 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.235 -0.915 . . . . 0.0 109.361 175.847 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 86' ' ' LYS . 33.8 mm -136.67 -45.58 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 120.896 -1.128 . . . . 0.0 109.958 176.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.76 96.15 0.04 OUTLIER 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.612 -0.68 . . . . 0.0 110.279 178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.36 62.44 0.54 Allowed Pre-proline 0 N--CA 1.495 1.821 0 O-C-N 121.543 -0.723 . . . . 0.0 110.242 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.2 -63.42 0.24 Allowed 'Trans proline' 0 N--CA 1.492 1.392 0 O-C-N 123.27 1.142 . . . . 0.0 110.924 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.5 p -168.59 -158.6 0.23 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.472 -0.767 . . . . 0.0 110.178 178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -106.88 149.66 27.2 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.551 -0.718 . . . . 0.0 110.283 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.6 p -147.82 26.96 0.99 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.506 -0.746 . . . . 0.0 110.337 178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.588 HD12 ' OXT' ' A' ' 94' ' ' LEU . 3.5 pp . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 117.991 -1.005 . . . . 0.0 110.409 178.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.8 t70 . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 121.06 0.457 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 mttt 55.52 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.688 -0.633 . . . . 0.0 110.926 178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 52.8 -164.04 0.08 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.932 -1.105 . . . . 0.0 110.774 178.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.712 HG11 ' OE1' ' A' ' 78' ' ' GLU . 74.8 t -123.34 141.7 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.565 -0.709 . . . . 0.0 110.054 178.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -117.96 156.8 27.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.62 -0.675 . . . . 0.0 109.751 175.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -87.18 93.34 9.35 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.46 -0.775 . . . . 0.0 110.34 179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.45 ' HB2' HD11 ' A' ' 12' ' ' ILE . 37.6 m-85 -75.64 -168.53 0.87 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.633 -0.667 . . . . 0.0 110.037 177.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.7 p -125.94 163.84 22.09 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.551 -0.718 . . . . 0.0 110.216 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 83' ' ' ASP . 4.6 tp -72.74 -38.48 67.4 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.66 -0.65 . . . . 0.0 110.083 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -60.57 -27.62 67.84 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 121.432 -0.792 . . . . 0.0 110.298 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -90.28 -30.84 17.24 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.549 -0.719 . . . . 0.0 110.755 179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' CG2' HD11 ' A' ' 24' ' ' ILE . 73.6 mt -90.21 -54.16 8.0 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.477 -0.764 . . . . 0.0 110.378 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -55.54 -22.21 20.51 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.483 -0.761 . . . . 0.0 110.96 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -59.27 -27.45 65.83 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.462 -0.774 . . . . 0.0 110.412 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.427 ' CD2' ' N ' ' A' ' 15' ' ' HIS . 12.8 m-70 -79.82 160.08 26.25 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.487 -0.758 . . . . 0.0 110.075 177.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -159.62 -42.42 0.05 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.564 -0.71 . . . . 0.0 110.461 178.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -169.04 -37.59 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.5 -0.75 . . . . 0.0 110.832 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.5 p -50.32 100.95 0.03 OUTLIER 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.353 -0.842 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? 62.03 136.2 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 CA-C-O 121.564 0.697 . . . . 0.0 110.866 177.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 32.7 m 51.04 -173.4 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.371 -0.831 . . . . 0.0 111.054 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 21' ' ' THR . 9.2 t -157.4 118.79 3.65 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.517 -0.739 . . . . 0.0 110.35 176.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -93.7 75.6 4.31 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.469 -0.769 . . . . 0.0 109.782 176.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.886 HG21 HD11 ' A' ' 46' ' ' LEU . 52.4 t -79.34 159.83 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.587 -0.696 . . . . 0.0 109.414 178.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.507 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.3 mp -137.99 136.29 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 C-N-CA 119.778 -0.769 . . . . 0.0 110.686 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.733 HD23 ' CE1' ' A' ' 30' ' ' TYR . 3.8 mm? -89.02 55.86 3.49 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 53.2 m-70 57.8 17.0 3.89 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.765 -0.584 . . . . 0.0 111.196 -177.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -177.34 -62.31 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.086 -1.009 . . . . 0.0 110.088 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.04 127.45 33.16 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.623 -0.673 . . . . 0.0 110.414 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.648 ' CG1' HD11 ' A' ' 76' ' ' ILE . 60.3 t -87.81 128.95 39.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.552 -0.718 . . . . 0.0 109.583 176.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.733 ' CE1' HD23 ' A' ' 25' ' ' LEU . 25.9 m-85 -106.87 137.69 44.44 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.61 -0.682 . . . . 0.0 111.289 -178.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' HB2' HG21 ' A' ' 76' ' ' ILE . 34.3 t70 -109.65 84.12 1.87 Allowed 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 169.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -94.61 27.94 2.83 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.591 -0.693 . . . . 0.0 110.602 -173.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.5 t -58.86 -26.69 64.45 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.331 -0.856 . . . . 0.0 110.45 178.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -84.74 -29.08 25.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.193 177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.479 ' CE1' ' CE1' ' A' ' 39' ' ' HIS . 83.2 t80 -84.1 -34.62 24.1 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.529 -0.732 . . . . 0.0 110.195 178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.35 -42.92 96.74 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.556 -0.715 . . . . 0.0 110.265 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -81.57 -21.48 38.42 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.709 -0.619 . . . . 0.0 110.733 178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.406 ' HB2' ' HA ' ' A' ' 35' ' ' PHE . 16.1 mt-10 -79.44 -27.31 41.66 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.35 -0.844 . . . . 0.0 110.318 178.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.479 ' CE1' ' CE1' ' A' ' 35' ' ' PHE . 15.7 m80 -111.78 95.66 29.41 Favored Pre-proline 0 N--CA 1.493 1.693 0 O-C-N 121.545 -0.722 . . . . 0.0 110.067 177.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.58 102.41 0.07 OUTLIER 'Trans proline' 0 N--CA 1.491 1.343 0 O-C-N 123.398 1.21 . . . . 0.0 111.009 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 165.13 -73.39 0.17 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 178.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.419 ' C ' HG22 ' A' ' 45' ' ' VAL . . . 90.95 -50.99 3.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.539 -1.424 . . . . 0.0 109.539 178.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -83.41 -46.6 12.35 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.683 -0.893 . . . . 0.0 110.234 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 45' ' ' VAL . 7.9 pt-20 -59.41 -26.1 64.87 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.47 -0.769 . . . . 0.0 110.549 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 44' ' ' GLU . 33.7 m -88.95 -161.49 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.497 -0.752 . . . . 0.0 110.069 177.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.886 HD11 HG21 ' A' ' 23' ' ' VAL . 0.4 OUTLIER 53.79 27.61 7.27 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 121.296 -0.877 . . . . 0.0 110.72 177.772 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 67.16 1.04 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 121.476 -0.765 . . . . 0.0 110.729 178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 53.65 -179.6 0.03 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.418 -0.801 . . . . 0.0 110.711 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -168.13 172.81 8.4 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.531 -0.731 . . . . 0.0 110.199 178.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 52.8 46.95 25.72 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.372 -0.83 . . . . 0.0 110.802 178.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -123.52 -43.12 0.36 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.34 65.06 1.77 Allowed Glycine 0 N--CA 1.493 2.438 0 N-CA-C 109.504 -1.439 . . . . 0.0 109.504 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -149.52 -167.92 2.96 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.561 -0.964 . . . . 0.0 110.234 178.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.4 -168.95 1.89 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.622 -0.674 . . . . 0.0 110.213 178.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 57' ' ' ASN . 11.2 m -134.23 85.12 2.17 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.57 -0.707 . . . . 0.0 110.243 178.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.43 -21.86 63.71 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.555 -0.716 . . . . 0.0 110.638 178.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.634 ' O ' HG22 ' A' ' 55' ' ' THR . 72.2 m-20 -129.45 170.21 13.97 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.366 -0.833 . . . . 0.0 110.212 178.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HE1' HD12 ' A' ' 25' ' ' LEU . 34.2 m-85 -113.37 141.65 46.81 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.594 -0.691 . . . . 0.0 110.308 178.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' OE2' ' CZ ' ' A' ' 35' ' ' PHE . 0.9 OUTLIER 52.79 -166.1 0.07 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.468 -0.77 . . . . 0.0 110.802 178.136 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.51 123.42 48.4 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.589 -0.695 . . . . 0.0 110.243 178.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.47 HG22 ' N ' ' A' ' 62' ' ' GLY . 8.6 p -62.01 166.76 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.532 -0.73 . . . . 0.0 110.132 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 61' ' ' VAL . . . 142.61 -125.33 2.6 Favored Glycine 0 N--CA 1.493 2.489 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -81.88 123.69 29.05 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.554 -0.969 . . . . 0.0 110.229 177.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.4 p -166.15 106.22 0.68 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.533 -0.729 . . . . 0.0 110.222 178.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 7.3 t -107.72 50.71 0.76 Allowed 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.52 -0.738 . . . . 0.0 110.23 177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -107.32 -163.8 0.93 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.647 -0.658 . . . . 0.0 110.27 178.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.51 -45.54 93.44 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.598 -0.688 . . . . 0.0 110.312 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.7 -36.85 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.621 -0.674 . . . . 0.0 110.77 177.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -166.56 155.7 11.02 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.315 -0.866 . . . . 0.0 110.19 177.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 74' ' ' TYR . 3.3 mm? -82.67 -28.3 30.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.574 -0.704 . . . . 0.0 110.324 178.612 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.5 p -72.07 64.42 0.53 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.559 -0.713 . . . . 0.0 110.195 178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' HA ' HD11 ' A' ' 75' ' ' ILE . 12.4 tptt -168.88 -41.57 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.473 -0.767 . . . . 0.0 110.116 177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.2 p -96.53 -23.85 16.34 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.605 -0.684 . . . . 0.0 110.58 178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.451 ' CE1' ' CD1' ' A' ' 70' ' ' LEU . 11.9 m-85 -90.76 48.14 1.5 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.476 -0.765 . . . . 0.0 110.252 178.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.444 HD11 ' HA ' ' A' ' 72' ' ' LYS . 71.7 mt -112.83 162.71 10.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.845 0 O-C-N 121.465 -0.772 . . . . 0.0 109.817 178.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.648 HD11 ' CG1' ' A' ' 29' ' ' VAL . 42.6 pt -119.99 -31.82 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 O-C-N 121.448 -0.783 . . . . 0.0 110.968 179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' C ' HG13 ' A' ' 4' ' ' VAL . . . 179.21 -155.27 15.55 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.656 -1.377 . . . . 0.0 109.656 178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.712 ' OE1' HG11 ' A' ' 4' ' ' VAL . 5.0 mt-10 -126.44 -167.21 1.68 Allowed 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.607 -0.937 . . . . 0.0 110.422 178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.629 HD21 HD13 ' A' ' 9' ' ' LEU . 64.3 tp -109.27 158.24 18.06 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.636 -0.665 . . . . 0.0 110.064 177.499 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 -83.48 135.91 43.24 Favored Pre-proline 0 N--CA 1.493 1.706 0 O-C-N 121.606 -0.684 . . . . 0.0 109.622 176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.87 -21.75 21.66 Favored 'Trans proline' 0 N--CA 1.492 1.391 0 O-C-N 123.132 1.07 . . . . 0.0 111.858 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.7 p30 -63.66 -13.68 44.9 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.267 -0.896 . . . . 0.0 111.735 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.777 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.5 m-20 -125.46 -3.13 7.37 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.137 -0.977 . . . . 0.0 111.415 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' N ' HD12 ' A' ' 87' ' ' ILE . 0.0 OUTLIER -51.08 175.84 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.151 -0.968 . . . . 0.0 110.941 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.9 t -56.16 90.53 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.586 -0.696 . . . . 0.0 111.261 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? 56.38 88.99 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.386 -0.822 . . . . 0.0 110.607 175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.588 ' H ' HD13 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -114.49 61.43 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 CA-C-O 121.186 0.517 . . . . 0.0 110.105 175.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.57 114.94 20.61 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.445 -0.784 . . . . 0.0 110.13 177.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 29.7 mtpt -82.15 171.34 12.17 Favored Pre-proline 0 N--CA 1.494 1.75 0 O-C-N 121.583 -0.698 . . . . 0.0 110.2 178.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.91 -176.02 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.394 0 O-C-N 123.435 1.229 . . . . 0.0 111.035 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.0 m -103.3 51.74 0.79 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.495 -0.753 . . . . 0.0 110.139 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 56.53 -85.99 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.629 -0.669 . . . . 0.0 110.762 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.7 m -82.12 169.07 17.08 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.172 -0.955 . . . . 0.0 110.303 178.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 tt . . . . . 0 N--CA 1.494 1.756 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.231 177.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 121.086 0.469 . . . . 0.0 110.174 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 tptm -167.75 109.59 0.61 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.56 -0.712 . . . . 0.0 110.288 178.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 49.56 -165.06 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.389 -0.82 . . . . 0.0 111.208 176.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.806 HG11 ' CD ' ' A' ' 78' ' ' GLU . 79.1 t -63.72 150.83 9.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.599 -0.688 . . . . 0.0 110.112 178.018 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -107.12 -167.9 1.33 Allowed 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.719 -0.613 . . . . 0.0 109.568 175.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -123.84 87.53 2.75 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.371 -0.83 . . . . 0.0 110.29 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.412 ' CE2' ' HA3' ' A' ' 77' ' ' GLY . 31.0 m-85 -61.4 -164.27 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.626 -0.671 . . . . 0.0 110.085 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 74.0 p -121.95 154.37 37.26 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.467 -0.771 . . . . 0.0 110.393 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.027 HD12 HD11 ' A' ' 79' ' ' LEU . 13.9 tp -63.86 -28.44 69.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.628 -0.67 . . . . 0.0 110.25 178.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -74.7 -28.01 60.63 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.549 -0.72 . . . . 0.0 110.275 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 2.2 mm-40 -71.57 -28.73 64.05 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.47 -0.769 . . . . 0.0 110.212 178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.792 ' CD1' HD12 ' A' ' 79' ' ' LEU . 45.7 mt -94.66 -29.32 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 121.564 -0.71 . . . . 0.0 109.991 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -90.8 20.05 5.05 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.561 -0.712 . . . . 0.0 111.081 178.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -133.21 31.05 3.85 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.246 -0.909 . . . . 0.0 110.281 178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 4.9 m-70 -116.86 81.21 1.6 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.554 -0.716 . . . . 0.0 110.22 178.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -28.62 68.8 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.514 -0.741 . . . . 0.0 110.277 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -168.15 -66.28 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.542 -0.724 . . . . 0.0 110.15 177.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 p 49.57 31.78 4.42 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.527 -0.733 . . . . 0.0 111.112 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt 66.56 -66.78 0.17 Allowed 'General case' 0 N--CA 1.507 2.415 0 O-C-N 121.513 -0.742 . . . . 0.0 110.711 178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.3 t -67.37 -177.98 0.79 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.294 -0.879 . . . . 0.0 110.119 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' THR . 7.3 t -137.74 126.09 23.27 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.564 -0.71 . . . . 0.0 110.294 177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -99.89 84.64 2.92 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.583 -0.698 . . . . 0.0 110.249 178.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' C ' HD12 ' A' ' 24' ' ' ILE . 64.6 t -85.8 165.38 2.24 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.508 -0.745 . . . . 0.0 109.991 177.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.692 HD11 ' CG2' ' A' ' 12' ' ' ILE . 4.9 mp -140.29 143.54 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.551 -0.718 . . . . 0.0 109.672 177.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.641 HD12 ' C ' ' A' ' 24' ' ' ILE . 7.8 mp -123.77 -79.73 0.62 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.458 -0.776 . . . . 0.0 110.495 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CD2' ' O ' ' A' ' 54' ' ' ALA . 12.3 m-70 -108.41 78.05 1.14 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.297 -0.877 . . . . 0.0 109.846 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 54.63 22.24 3.9 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.49 -0.756 . . . . 0.0 110.677 -179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -119.84 141.24 49.72 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.784 . . . . 0.0 109.614 177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.473 HG12 HD11 ' A' ' 76' ' ' ILE . 46.5 t -93.49 140.74 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.547 -0.721 . . . . 0.0 110.066 179.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.529 ' HB3' HD11 ' A' ' 32' ' ' LEU . 10.1 m-85 -113.96 132.91 55.79 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.689 -0.632 . . . . 0.0 111.031 -177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.678 ' HB2' HG21 ' A' ' 76' ' ' ILE . 20.6 t0 -108.98 86.06 2.21 Favored 'General case' 0 N--CA 1.495 1.811 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -95.56 31.06 2.1 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.656 -0.653 . . . . 0.0 110.515 -175.197 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.6 t -62.91 -27.17 69.18 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.45 -0.781 . . . . 0.0 110.357 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? -88.22 -28.94 20.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.506 -0.746 . . . . 0.0 110.14 177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.431 ' CD1' HD13 ' A' ' 70' ' ' LEU . 37.3 t80 -79.65 -27.28 40.88 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.58 -0.7 . . . . 0.0 110.238 177.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 36' ' ' LEU . 1.3 tt -59.81 -28.8 67.76 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.424 -0.797 . . . . 0.0 110.29 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -112.0 29.61 7.73 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.597 -0.689 . . . . 0.0 110.156 177.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -102.84 -53.41 2.85 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.607 -0.683 . . . . 0.0 110.305 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -117.44 80.56 13.01 Favored Pre-proline 0 N--CA 1.493 1.705 0 O-C-N 121.486 -0.759 . . . . 0.0 110.199 178.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.14 91.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.473 1.249 . . . . 0.0 111.006 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.75 -94.36 2.14 Favored Glycine 0 N--CA 1.493 2.448 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -114.25 50.19 0.79 Allowed Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 56.55 -85.77 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.107 0 O-C-N 121.713 -0.875 . . . . 0.0 110.759 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -94.3 107.58 19.52 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.154 -0.966 . . . . 0.0 110.157 178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.0 m -107.96 -24.55 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.543 -0.723 . . . . 0.0 110.531 177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.049 HD13 HD13 ' A' ' 32' ' ' LEU . 5.0 mt -61.62 -70.62 0.18 Allowed 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.446 -0.784 . . . . 0.0 110.434 178.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -107.56 -34.37 7.04 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.516 -0.74 . . . . 0.0 110.291 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 52.94 32.68 13.08 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.466 -0.771 . . . . 0.0 110.769 178.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 53.67 100.11 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.134 0 O-C-N 121.51 -0.744 . . . . 0.0 110.702 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . 53.53 96.36 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.43 -0.794 . . . . 0.0 110.703 178.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.26 -36.42 0.09 OUTLIER Glycine 0 N--CA 1.492 2.399 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.32 132.92 1.57 Allowed Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 178.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -162.85 74.36 0.38 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.525 -0.985 . . . . 0.0 110.292 178.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 26' ' ' HIS . . . -148.37 -49.69 0.16 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.525 -0.734 . . . . 0.0 110.205 178.003 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.42 HG22 ' H ' ' A' ' 56' ' ' GLU . 4.2 m -111.13 174.16 5.99 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.521 -0.737 . . . . 0.0 110.188 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' CG ' HD21 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -143.41 43.28 1.52 Allowed 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.562 -0.711 . . . . 0.0 110.184 177.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -87.88 -28.26 21.68 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.573 -0.705 . . . . 0.0 110.27 178.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 59' ' ' GLU . 29.4 p90 -59.69 -26.79 65.88 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.463 -0.773 . . . . 0.0 110.452 178.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.449 ' N ' ' CD1' ' A' ' 58' ' ' PHE . 7.2 tt0 52.1 80.67 0.09 Allowed 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.36 -0.837 . . . . 0.0 110.841 178.049 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.489 ' C ' HG22 ' A' ' 61' ' ' VAL . 26.3 t70 50.33 67.69 0.88 Allowed 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.378 -0.826 . . . . 0.0 110.831 177.252 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.489 HG22 ' C ' ' A' ' 60' ' ' ASP . 23.7 m 36.73 35.16 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.491 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 177.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 112.45 94.71 2.18 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 178.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.403 ' CD2' ' OE2' ' A' ' 59' ' ' GLU . 1.9 t-80 -87.94 -34.07 18.24 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.561 -0.964 . . . . 0.0 110.205 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.52 -84.71 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.154 0 O-C-N 121.661 -0.649 . . . . 0.0 110.721 178.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 6.6 t -60.68 158.51 12.51 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.103 -0.998 . . . . 0.0 110.26 178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' HB2' ' CE1' ' A' ' 63' ' ' HIS . 2.4 m-20 52.63 93.76 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.413 -0.805 . . . . 0.0 110.798 178.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.94 85.7 6.42 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.576 -0.702 . . . . 0.0 110.293 178.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -148.98 128.19 12.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.527 -0.733 . . . . 0.0 110.235 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -66.14 118.65 10.18 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.601 -0.687 . . . . 0.0 110.349 178.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD13 ' CD1' ' A' ' 35' ' ' PHE . 6.6 mt -90.04 -27.85 19.44 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.545 -0.722 . . . . 0.0 110.253 177.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.7 p -72.08 64.67 0.54 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.062 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.0 tttp -169.42 -39.58 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.445 -0.784 . . . . 0.0 110.27 178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 p -98.29 -16.04 19.54 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.44 -0.788 . . . . 0.0 110.834 177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -93.78 23.4 4.8 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.292 -0.88 . . . . 0.0 110.654 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 9.0 mm -88.39 163.73 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.332 -0.855 . . . . 0.0 109.402 178.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.678 HG21 ' HB2' ' A' ' 31' ' ' ASP . 37.5 pt -121.72 -33.01 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.428 -0.795 . . . . 0.0 111.024 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.736 ' HA2' HG13 ' A' ' 4' ' ' VAL . . . -179.06 -162.2 27.97 Favored Glycine 0 N--CA 1.493 2.488 0 N-CA-C 109.526 -1.43 . . . . 0.0 109.526 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.806 ' CD ' HG11 ' A' ' 4' ' ' VAL . 12.3 mt-10 -118.97 -173.25 2.46 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.621 -0.929 . . . . 0.0 110.205 177.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.027 HD11 HD12 ' A' ' 9' ' ' LEU . 9.0 tt -108.36 150.28 27.57 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.618 -0.676 . . . . 0.0 110.079 177.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' O ' HD23 ' A' ' 79' ' ' LEU . 1.9 t-80 -60.36 111.57 4.21 Favored Pre-proline 0 N--CA 1.497 1.91 0 O-C-N 121.611 -0.681 . . . . 0.0 110.147 178.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.13 -24.01 24.39 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 O-C-N 123.196 1.103 . . . . 0.0 111.19 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -59.24 -28.11 66.39 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.464 -0.773 . . . . 0.0 110.448 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.764 ' HB3' HD22 ' A' ' 9' ' ' LEU . 73.5 m-20 -102.62 -24.68 13.75 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.566 -0.709 . . . . 0.0 110.434 177.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.1 tpt85 -56.54 -64.31 0.91 Allowed 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.392 -0.818 . . . . 0.0 109.909 176.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.88 -148.61 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 172.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.801 ' O ' HD13 ' A' ' 87' ' ' ILE . 14.3 mmmm -122.66 -95.13 0.48 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.098 -1.001 . . . . 0.0 109.732 175.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.801 HD13 ' O ' ' A' ' 86' ' ' LYS . 39.9 mm -137.22 72.46 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.931 -1.106 . . . . 0.0 109.933 177.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -80.95 82.66 6.87 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.541 -0.724 . . . . 0.0 110.268 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.39 94.18 23.55 Favored Pre-proline 0 N--CA 1.494 1.731 0 O-C-N 121.635 -0.666 . . . . 0.0 110.167 178.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -52.84 110.9 0.52 Allowed 'Trans proline' 0 N--CA 1.492 1.389 0 O-C-N 123.392 1.206 . . . . 0.0 111.02 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.7 t -115.65 144.24 44.21 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.564 -0.71 . . . . 0.0 110.196 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -111.88 -26.23 9.03 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.584 -0.698 . . . . 0.0 110.442 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 6.9 p -133.49 85.14 2.18 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.488 -0.757 . . . . 0.0 110.196 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.244 178.064 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.132 0.491 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -126.38 97.27 4.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.499 -0.751 . . . . 0.0 110.136 178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -101.33 143.64 31.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.614 -0.679 . . . . 0.0 110.228 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.4 t 53.99 103.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 121.509 -0.744 . . . . 0.0 110.578 178.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 55.5 tttt -85.49 161.0 19.56 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.578 -0.701 . . . . 0.0 109.432 173.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -87.16 93.45 9.38 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.442 -0.786 . . . . 0.0 110.638 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.402 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 49.6 m-85 -76.07 -164.05 0.34 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.683 -0.635 . . . . 0.0 109.326 175.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' HD12 ' A' ' 12' ' ' ILE . 50.8 p -142.3 148.24 37.69 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.326 -0.859 . . . . 0.0 110.621 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.582 HD22 ' HB3' ' A' ' 83' ' ' ASP . 3.8 tp -59.9 -26.79 66.18 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.698 -0.626 . . . . 0.0 110.379 177.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.39 -51.27 12.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.547 -0.721 . . . . 0.0 110.407 178.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -30.93 70.66 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.508 -0.745 . . . . 0.0 110.211 178.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.522 HG22 HD11 ' A' ' 24' ' ' ILE . 45.1 mt -76.88 -29.14 17.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.574 -0.704 . . . . 0.0 109.95 177.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -90.91 20.79 4.55 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.587 -0.695 . . . . 0.0 111.017 177.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -128.44 29.65 5.28 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.202 -0.936 . . . . 0.0 110.258 178.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -124.42 91.61 3.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.61 -0.682 . . . . 0.0 110.161 178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -112.87 -31.57 6.67 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.519 -0.738 . . . . 0.0 110.311 178.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.89 -156.6 0.12 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.499 -0.751 . . . . 0.0 110.242 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.7 m 52.75 -176.22 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.492 -0.755 . . . . 0.0 110.837 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 36' ' ' LEU . 24.8 ttpp -113.6 19.66 16.62 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.555 -0.715 . . . . 0.0 110.733 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.738 ' HA ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -98.96 99.29 10.32 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.283 -0.885 . . . . 0.0 110.293 178.262 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 21' ' ' THR . 8.6 t -76.77 124.26 27.43 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.631 -0.668 . . . . 0.0 110.265 178.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -102.19 80.95 2.03 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.535 -0.728 . . . . 0.0 110.332 178.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.661 HG11 HD22 ' A' ' 46' ' ' LEU . 62.3 t -79.54 144.43 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 O-C-N 121.452 -0.78 . . . . 0.0 109.219 175.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.522 HD11 HG22 ' A' ' 12' ' ' ILE . 5.8 mt -114.09 136.3 51.03 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.425 -0.797 . . . . 0.0 110.574 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 58' ' ' PHE . 1.8 mm? -104.81 63.51 0.72 Allowed 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 175.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.448 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 32.4 p80 39.18 29.03 0.03 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 -178.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.439 ' CD2' ' NH1' ' A' ' 84' ' ' ARG . 21.7 t-160 -177.83 -67.14 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.409 -0.807 . . . . 0.0 109.763 175.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -82.86 160.57 22.15 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.629 -0.669 . . . . 0.0 110.707 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.9 t -111.65 127.81 68.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.767 -0.583 . . . . 0.0 109.505 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.562 ' HB3' HD11 ' A' ' 32' ' ' LEU . 16.4 m-85 -103.76 116.84 33.06 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.636 -0.665 . . . . 0.0 111.123 -176.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' HB2' HD13 ' A' ' 76' ' ' ILE . 19.4 t0 -98.8 73.22 1.99 Allowed 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 171.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.64 HD13 ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -79.75 65.5 4.93 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.775 -0.578 . . . . 0.0 109.987 -175.879 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 20' ' ' SER . 68.1 p -63.28 -50.57 69.61 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.533 -0.73 . . . . 0.0 110.412 178.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.4 mmtt -59.1 -27.92 66.03 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.547 -0.721 . . . . 0.0 110.368 178.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.734 ' CE1' HG23 ' A' ' 45' ' ' VAL . 22.5 t80 -73.17 -39.49 65.58 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.565 -0.709 . . . . 0.0 109.892 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.596 HD13 ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -57.19 -25.96 59.85 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.554 -0.716 . . . . 0.0 110.521 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -83.53 -29.04 28.2 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.457 -0.777 . . . . 0.0 110.627 179.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -65.84 0.95 Allowed 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.357 -0.839 . . . . 0.0 109.988 178.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.444 ' ND1' ' CZ ' ' A' ' 35' ' ' PHE . 76.7 m80 -79.83 169.74 18.81 Favored Pre-proline 0 N--CA 1.493 1.677 0 O-C-N 121.481 -0.762 . . . . 0.0 109.481 175.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.7 -30.15 36.15 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 O-C-N 123.198 1.104 . . . . 0.0 110.579 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.438 ' O ' HG11 ' A' ' 45' ' ' VAL . . . 75.23 -61.57 2.66 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 110.312 -1.115 . . . . 0.0 110.312 173.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.74 25.22 27.44 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -145.88 -82.85 0.14 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.424 -1.045 . . . . 0.0 110.048 176.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -100.31 72.6 1.63 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.127 -0.983 . . . . 0.0 109.548 175.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.734 HG23 ' CE1' ' A' ' 35' ' ' PHE . 13.5 p -110.28 136.73 45.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.611 -0.681 . . . . 0.0 110.575 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.661 HD22 HG11 ' A' ' 23' ' ' VAL . 1.0 OUTLIER 47.44 53.11 11.45 Favored 'General case' 0 N--CA 1.501 2.108 0 O-C-N 121.519 -0.738 . . . . 0.0 111.555 178.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.9 ttt85 53.17 34.61 17.85 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.429 -0.795 . . . . 0.0 110.693 178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 52.95 48.51 22.26 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.379 -0.825 . . . . 0.0 110.767 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 52.8 -165.79 0.07 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.452 -0.78 . . . . 0.0 110.764 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -137.21 128.71 28.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.514 -0.741 . . . . 0.0 110.224 178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.62 -86.99 0.05 OUTLIER Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 177.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.69 -91.18 0.03 OUTLIER Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 177.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -149.7 -73.13 0.18 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.58 -0.953 . . . . 0.0 110.243 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 52.62 97.84 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.436 -0.79 . . . . 0.0 110.805 177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -102.33 28.43 5.92 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.585 -0.697 . . . . 0.0 110.269 178.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -81.83 -28.27 33.17 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.487 -0.758 . . . . 0.0 110.231 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 41.4 p-10 -163.67 142.66 7.99 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.587 -0.695 . . . . 0.0 110.212 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.494 ' CD1' HD11 ' A' ' 25' ' ' LEU . 30.7 m-85 -110.63 -29.28 8.1 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.503 -0.748 . . . . 0.0 110.098 178.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -145.83 68.81 1.21 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.601 -0.687 . . . . 0.0 110.107 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -79.35 93.31 5.3 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.633 -0.667 . . . . 0.0 110.386 178.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG13 ' HE ' ' A' ' 68' ' ' ARG . 8.7 p -167.75 126.05 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.588 -0.695 . . . . 0.0 110.147 177.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -62.49 104.36 0.76 Allowed Glycine 0 N--CA 1.494 2.501 0 N-CA-C 109.625 -1.39 . . . . 0.0 109.625 178.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -168.4 42.34 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.62 -0.929 . . . . 0.0 110.278 178.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.6 t -168.28 31.73 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.465 -0.772 . . . . 0.0 110.209 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 49.39 98.98 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.227 0 O-C-N 121.543 -0.723 . . . . 0.0 111.048 177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.2 -81.43 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.22 0 O-C-N 121.531 -0.731 . . . . 0.0 110.667 177.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.0 168.77 0.9 Allowed 'General case' 0 N--CA 1.499 2.004 0 O-C-N 121.209 -0.932 . . . . 0.0 110.312 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.648 ' HE ' HG13 ' A' ' 61' ' ' VAL . 25.3 tpt85 -168.28 -40.18 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.595 -0.691 . . . . 0.0 110.363 178.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -66.78 79.73 0.11 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.566 -0.709 . . . . 0.0 110.181 178.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 HD12 ' CD1' ' A' ' 74' ' ' TYR . 1.1 pp -91.22 23.51 3.29 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.513 -0.742 . . . . 0.0 111.036 178.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.1 p -69.48 73.93 0.37 Allowed 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.377 -0.827 . . . . 0.0 110.059 177.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 22.5 tttt -167.64 -45.96 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.561 -0.712 . . . . 0.0 110.351 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 69.8 p -93.84 20.37 7.75 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.509 -0.745 . . . . 0.0 110.687 178.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.431 ' CD1' HD12 ' A' ' 70' ' ' LEU . 55.6 m-85 -134.01 28.14 3.84 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.43 -0.794 . . . . 0.0 109.908 177.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.439 HG12 ' CE2' ' A' ' 30' ' ' TYR . 73.8 mt -109.72 163.83 6.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.523 -0.735 . . . . 0.0 110.517 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD13 ' HB2' ' A' ' 31' ' ' ASP . 30.4 pt -124.82 -35.59 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 121.71 -0.619 . . . . 0.0 110.756 178.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.54 -167.66 40.36 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 109.828 -1.309 . . . . 0.0 109.828 177.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -113.26 153.3 28.63 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.719 -0.871 . . . . 0.0 110.165 177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 84' ' ' ARG . 3.6 pp -74.76 177.71 5.99 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.569 -0.707 . . . . 0.0 110.483 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.584 ' O ' HD12 ' A' ' 79' ' ' LEU . 13.2 t-80 -79.05 129.71 72.11 Favored Pre-proline 0 N--CA 1.494 1.755 0 O-C-N 121.498 -0.751 . . . . 0.0 110.088 178.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' ARG . 50.5 Cg_exo -51.76 -24.19 17.55 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 O-C-N 123.194 1.102 . . . . 0.0 111.473 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.25 -28.43 11.71 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.391 -0.818 . . . . 0.0 111.113 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.582 ' HB3' HD22 ' A' ' 9' ' ' LEU . 74.9 m-20 -117.08 -12.01 10.67 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.424 -0.797 . . . . 0.0 111.04 177.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.674 ' HB2' HD11 ' A' ' 79' ' ' LEU . 7.0 tmm_? -61.03 -64.15 1.05 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.476 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 31.2 t -90.31 -92.72 0.13 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.45 -0.781 . . . . 0.0 110.356 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -175.54 59.16 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.046 0 O-C-N 120.752 -1.218 . . . . 0.0 110.136 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.575 ' H ' HD12 ' A' ' 87' ' ' ILE . 4.3 mp -79.99 -20.34 12.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 O-C-N 121.334 -0.854 . . . . 0.0 110.463 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.92 68.58 0.44 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.376 -0.827 . . . . 0.0 110.203 177.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.0 99.18 2.56 Favored Pre-proline 0 N--CA 1.494 1.764 0 O-C-N 121.488 -0.758 . . . . 0.0 109.998 178.12 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -52.29 175.85 0.07 OUTLIER 'Trans proline' 0 N--CA 1.492 1.438 0 O-C-N 123.375 1.197 . . . . 0.0 111.044 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.5 t 53.67 179.98 0.02 OUTLIER 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.396 -0.815 . . . . 0.0 110.672 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 52.57 98.06 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.106 0 O-C-N 121.434 -0.791 . . . . 0.0 110.879 178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 93' ' ' THR . 53.0 m -158.56 41.94 0.26 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.563 -0.711 . . . . 0.0 110.173 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.494 1.726 0 CA-C-O 118.001 -0.999 . . . . 0.0 110.183 178.124 . . . . . . . . 0 0 . 1 stop_ save_